CID 84524

14556-98-0

Structural Information

Molecular Formula
C7H6ClNO5S
SMILES
C1=C(C(=CC(=C1S(=O)(=O)N)Cl)O)C(=O)O
InChI
InChI=1S/C7H6ClNO5S/c8-4-2-5(10)3(7(11)12)1-6(4)15(9,13)14/h1-2,10H,(H,11,12)(H2,9,13,14)
InChIKey
FHNZKRYMWHCXME-UHFFFAOYSA-N
Compound name
4-chloro-2-hydroxy-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

250.96552 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.97280 144.7
[M+Na]+ 273.95474 154.5
[M-H]- 249.95824 146.4
[M+NH4]+ 268.99934 161.4
[M+K]+ 289.92868 149.8
[M+H-H2O]+ 233.96278 141.0
[M+HCOO]- 295.96372 156.4
[M+CH3COO]- 309.97937 185.3
[M+Na-2H]- 271.94019 146.9
[M]+ 250.96497 147.4
[M]- 250.96607 147.4
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