CID 18071335

2,3-dichloro-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H5Cl2NO4S
SMILES
C1=C(C=C(C(=C1C(=O)O)Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C7H5Cl2NO4S/c8-5-2-3(15(10,13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKey
LTFKNFZNUVHONC-UHFFFAOYSA-N
Compound name
2,3-dichloro-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

268.93164 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.938916 146.7
[M+Na]+ 291.920858 157.4
[M-H]- 267.924364 149.5
[M+NH4]+ 286.965463 164.0
[M+K]+ 307.894798 151.8
[M+H-H2O]+ 251.928900 144.1
[M+HCOO]- 313.929841 154.8
[M+CH3COO]- 327.945491 189.9
[M+Na-2H]- 289.906306 148.6
[M]+ 268.93109142 150.9
[M]- 268.93218858 150.9
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