CID 9118368

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

Structural Information

Molecular Formula
C9H7F4NO2
SMILES
C1=CC(=CC=C1NC(=O)OCC(F)(F)F)F
InChI
InChI=1S/C9H7F4NO2/c10-6-1-3-7(4-2-6)14-8(15)16-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKey
USGDKDSLXCJNIS-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(4-fluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.04129 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04857 144.3
[M+Na]+ 260.03051 152.6
[M-H]- 236.03401 143.0
[M+NH4]+ 255.07511 161.8
[M+K]+ 276.00445 150.2
[M+H-H2O]+ 220.03855 135.0
[M+HCOO]- 282.03949 163.7
[M+CH3COO]- 296.05514 190.7
[M+Na-2H]- 258.01596 149.2
[M]+ 237.04074 139.8
[M]- 237.04184 139.8
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.