CID 232110

Phenyl n-(3-chlorophenyl)carbamate

Structural Information

Molecular Formula
C13H10ClNO2
SMILES
C1=CC=C(C=C1)OC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H10ClNO2/c14-10-5-4-6-11(9-10)15-13(16)17-12-7-2-1-3-8-12/h1-9H,(H,15,16)
InChIKey
ODRCCNDEGWDDGA-UHFFFAOYSA-N
Compound name
phenyl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

247.04001 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04729 151.7
[M+Na]+ 270.02923 159.8
[M-H]- 246.03273 158.5
[M+NH4]+ 265.07383 169.4
[M+K]+ 286.00317 155.2
[M+H-H2O]+ 230.03727 145.1
[M+HCOO]- 292.03821 172.6
[M+CH3COO]- 306.05386 191.5
[M+Na-2H]- 268.01468 158.3
[M]+ 247.03946 153.8
[M]- 247.04056 153.8
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

patents stripe