PubChemLite - 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl n-(naphthalen-1-yl)carbamate (C21H12F17NO2)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C21H12F17NO2/c22-14(23,8-9-41-13(40)39-12-7-3-5-10-4-1-2-6-11(10)12)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h1-7H,8-9H2,(H,39,40)

InChIKey

POBJJNLGHQDYKA-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl N-naphthalen-1-ylcarbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	634.06691	234.6
[M+Na]+	656.04885	242.4
[M-H]-	632.05235	220.7
[M+NH4]+	651.09345	191.2
[M+K]+	672.02279	236.6
[M+H-H2O]+	616.05689	216.5
[M+HCOO]-	678.05783	204.3
[M+CH3COO]-	692.07348	259.2
[M+Na-2H]-	654.03430	237.0
[M]+	633.05908	211.1
[M]-	633.06018	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

634.06691

234.6

[M+Na]+

656.04885

242.4

[M-H]-

632.05235

220.7

[M+NH4]+

651.09345

191.2

[M+K]+

672.02279

236.6

[M+H-H2O]+

616.05689

216.5

[M+HCOO]-

678.05783

204.3

[M+CH3COO]-

692.07348

259.2

[M+Na-2H]-

654.03430

237.0

[M]+

633.05908

211.1

[M]-

633.06018

211.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl n-(naphthalen-1-yl)carbamate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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