CID 9397960

2,2,2-trifluoroethyl n-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

11
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 146.7
[M+Na]+ 256.05558 153.5
[M-H]- 232.05908 146.2
[M+NH4]+ 251.10018 164.1
[M+K]+ 272.02952 151.3
[M+H-H2O]+ 216.06362 137.9
[M+HCOO]- 278.06456 166.9
[M+CH3COO]- 292.08021 189.7
[M+Na-2H]- 254.04103 152.3
[M]+ 233.06581 143.4
[M]- 233.06691 143.4
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