CID 24702677

2-chloro-5-sulfamoylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H5Cl2NO4S2
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C6H5Cl2NO4S2/c7-5-2-1-4(15(9,12)13)3-6(5)14(8,10)11/h1-3H,(H2,9,12,13)
InChIKey
IGVWYUALKQYYRU-UHFFFAOYSA-N
Compound name
2-chloro-5-sulfamoylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

288.90372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.91100 152.9
[M+Na]+ 311.89294 163.4
[M-H]- 287.89644 156.7
[M+NH4]+ 306.93754 169.8
[M+K]+ 327.86688 156.9
[M+H-H2O]+ 271.90098 150.0
[M+HCOO]- 333.90192 156.7
[M+CH3COO]- 347.91757 191.6
[M+Na-2H]- 309.87839 156.3
[M]+ 288.90317 157.6
[M]- 288.90427 157.6
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