CID 186645

Phenyl n-(4-chlorophenyl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

47
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

literature stripe

Patent stripe

patents stripe