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

83
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 152.4
[M+Na]+ 270.02923 167.3
[M+NH4]+ 265.07383 161.5
[M+K]+ 286.00317 159.2
[M-H]- 246.03273 157.4
[M+Na-2H]- 268.01468 162.5
[M]+ 247.03946 156.3
[M]- 247.04056 156.3
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