CID 65741

Diphenylcarbamyl chloride

Structural Information

Molecular Formula
C13H10ClNO
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)Cl
InChI
InChI=1S/C13H10ClNO/c14-13(16)15(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
XNBKKRFABABBPM-UHFFFAOYSA-N
Compound name
N,N-diphenylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

1369
Patents

231.04509 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.05237 148.6
[M+Na]+ 254.03431 155.8
[M-H]- 230.03781 156.4
[M+NH4]+ 249.07891 167.2
[M+K]+ 270.00825 152.0
[M+H-H2O]+ 214.04235 141.7
[M+HCOO]- 276.04329 169.7
[M+CH3COO]- 290.05894 192.5
[M+Na-2H]- 252.01976 155.1
[M]+ 231.04454 150.2
[M]- 231.04564 150.2
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