CID 4480050

14353-07-2

Structural Information

Molecular Formula
C14H9ClF3NO2
SMILES
C1=CC(=CC(=C1)NC(=O)OC2=CC=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C14H9ClF3NO2/c15-10-4-6-12(7-5-10)21-13(20)19-11-3-1-2-9(8-11)14(16,17)18/h1-8H,(H,19,20)
InChIKey
SOGNUIAPFCWAEJ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) N-[3-(trifluoromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0274 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.03468 164.0
[M+Na]+ 338.01662 173.2
[M-H]- 314.02012 167.1
[M+NH4]+ 333.06122 179.2
[M+K]+ 353.99056 167.5
[M+H-H2O]+ 298.02466 154.9
[M+HCOO]- 360.02560 179.8
[M+CH3COO]- 374.04125 203.5
[M+Na-2H]- 336.00207 168.3
[M]+ 315.02685 163.0
[M]- 315.02795 163.0
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.