PubChemLite - 2-(perfluorodecyl)ethyl n-1-naphthalenylcarbamate (C23H12F21NO2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H12F21NO2/c24-14(25,8-9-47-13(46)45-12-7-3-5-10-4-1-2-6-11(10)12)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)44/h1-7H,8-9H2,(H,45,46)

InChIKey

LRTBLMPVLVRYHX-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 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]+	734.06058	195.1
[M+Na]+	756.04252	202.7
[M-H]-	732.04602	206.0
[M+NH4]+	751.08712	207.1
[M+K]+	772.01646	211.3
[M+H-H2O]+	716.05056	184.3
[M+HCOO]-	778.05150	217.0
[M+CH3COO]-	792.06715	271.2
[M+Na-2H]-	754.02797	194.5
[M]+	733.05275	192.0
[M]-	733.05385	192.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

734.06058

195.1

[M+Na]+

756.04252

202.7

[M-H]-

732.04602

206.0

[M+NH4]+

751.08712

207.1

[M+K]+

772.01646

211.3

[M+H-H2O]+

716.05056

184.3

[M+HCOO]-

778.05150

217.0

[M+CH3COO]-

792.06715

271.2

[M+Na-2H]-

754.02797

194.5

[M]+

733.05275

192.0

[M]-

733.05385

192.0

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

2-(perfluorodecyl)ethyl n-1-naphthalenylcarbamate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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