CID 17655

2,4-dichloro-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H5Cl2NO4S
SMILES
C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O
InChI
InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKey
ZSHHRBYVHTVRFK-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

164
Patents

268.93164 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.93892 153.0
[M+Na]+ 291.92086 164.3
[M+NH4]+ 286.96546 159.4
[M+K]+ 307.89480 158.4
[M-H]- 267.92436 152.4
[M+Na-2H]- 289.90631 156.6
[M]+ 268.93109 155.2
[M]- 268.93219 155.2
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

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