CID 28818931

2,2,2-trifluoroethyl n-(4-cyanophenyl)carbamate

Structural Information

Molecular Formula
C10H7F3N2O2
SMILES
C1=CC(=CC=C1C#N)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C10H7F3N2O2/c11-10(12,13)6-17-9(16)15-8-3-1-7(5-14)2-4-8/h1-4H,6H2,(H,15,16)
InChIKey
JANVIWCHIMGIJK-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(4-cyanophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04596 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05324 155.4
[M+Na]+ 267.03518 163.6
[M+NH4]+ 262.07978 156.9
[M+K]+ 283.00912 155.5
[M-H]- 243.03868 145.0
[M+Na-2H]- 265.02063 156.3
[M]+ 244.04541 152.5
[M]- 244.04651 152.5
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.