CID 576741

N-phenylcarbamoyl chloride

Structural Information

Molecular Formula
C7H6ClNO
SMILES
C1=CC=C(C=C1)NC(=O)Cl
InChI
InChI=1S/C7H6ClNO/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)
InChIKey
YSBUANSGDLZTKV-UHFFFAOYSA-N
Compound name
N-phenylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

472
Patents

155.0138 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02108 127.6
[M+Na]+ 178.00302 135.9
[M-H]- 154.00652 131.4
[M+NH4]+ 173.04762 149.1
[M+K]+ 193.97696 132.8
[M+H-H2O]+ 138.01106 123.0
[M+HCOO]- 200.01200 148.8
[M+CH3COO]- 214.02765 175.2
[M+Na-2H]- 175.98847 135.5
[M]+ 155.01325 128.1
[M]- 155.01435 128.1
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