CID 3698191

2-(perfluorodecyl)ethyl n-1-naphthalenylcarbamate

Structural Information

Molecular Formula
C23H12F21NO2
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

compound 2d structure
2
Annotation Hits

0
References

0
Patents

733.0533 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.