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

20
Patents

233.06636 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.073636 146.7
[M+Na]+ 256.055578 153.5
[M-H]- 232.059084 146.2
[M+NH4]+ 251.100183 164.1
[M+K]+ 272.029518 151.3
[M+H-H2O]+ 216.063620 137.9
[M+HCOO]- 278.064561 166.9
[M+CH3COO]- 292.080211 189.7
[M+Na-2H]- 254.041026 152.3
[M]+ 233.06581142 143.4
[M]- 233.06690858 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