CID 3017979

4-chloro-3-sulfamoylbenzoyl chloride

Structural Information

Molecular Formula
C7H5Cl2NO3S
SMILES
C1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H5Cl2NO3S/c8-5-2-1-4(7(9)11)3-6(5)14(10,12)13/h1-3H,(H2,10,12,13)
InChIKey
SCYSJFKWFQZRJW-UHFFFAOYSA-N
Compound name
4-chloro-3-sulfamoylbenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

252.93672 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.94400 144.8
[M+Na]+ 275.92594 155.4
[M-H]- 251.92944 148.7
[M+NH4]+ 270.97054 163.3
[M+K]+ 291.89988 150.0
[M+H-H2O]+ 235.93398 141.7
[M+HCOO]- 297.93492 154.1
[M+CH3COO]- 311.95057 188.9
[M+Na-2H]- 273.91139 147.4
[M]+ 252.93617 149.0
[M]- 252.93727 149.0
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