CID 3841913

2,2,2-trifluoroethyl n-(3-chlorophenyl)carbamate

Structural Information

Molecular Formula
C9H7ClF3NO2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C9H7ClF3NO2/c10-6-2-1-3-7(4-6)14-8(15)16-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKey
TYSCZMZABCQYNK-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.01173 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01901 146.5
[M+Na]+ 276.00095 155.5
[M-H]- 252.00445 146.5
[M+NH4]+ 271.04555 164.3
[M+K]+ 291.97489 151.5
[M+H-H2O]+ 236.00899 139.0
[M+HCOO]- 298.00993 162.6
[M+CH3COO]- 312.02558 191.6
[M+Na-2H]- 273.98640 151.6
[M]+ 253.01118 145.5
[M]- 253.01228 145.5
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.