CID 9397960

2,2,2-trifluoroethyl benzylcarbamate

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
C1=CC=C(C=C1)CNC(=O)OCC(F)(F)F
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)7-16-9(15)14-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKey
KKYIEPKFJPKUCK-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-benzylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

233.06636 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 151.3
[M+Na]+ 256.05558 158.8
[M+NH4]+ 251.10018 156.1
[M+K]+ 272.02952 154.1
[M-H]- 232.05908 147.9
[M+Na-2H]- 254.04103 155.0
[M]+ 233.06581 150.9
[M]- 233.06691 150.9
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

patents stripe