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]+ 316.034676 164.0
[M+Na]+ 338.016618 173.2
[M-H]- 314.020124 167.1
[M+NH4]+ 333.061223 179.2
[M+K]+ 353.990558 167.5
[M+H-H2O]+ 298.024660 154.9
[M+HCOO]- 360.025601 179.8
[M+CH3COO]- 374.041251 203.5
[M+Na-2H]- 336.002066 168.3
[M]+ 315.02685142 163.0
[M]- 315.02794858 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.