CID 977914

2-chloro-5-[(propan-2-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C10H12ClNO4S
SMILES
CC(C)NS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O
InChI
InChI=1S/C10H12ClNO4S/c1-6(2)12-17(15,16)7-3-4-9(11)8(5-7)10(13)14/h3-6,12H,1-2H3,(H,13,14)
InChIKey
SEYHVXLJZBTBCF-UHFFFAOYSA-N
Compound name
2-chloro-5-(propan-2-ylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

277.01755 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02483 154.6
[M+Na]+ 300.00677 162.7
[M-H]- 276.01027 157.6
[M+NH4]+ 295.05137 171.1
[M+K]+ 315.98071 158.5
[M+H-H2O]+ 260.01481 150.1
[M+HCOO]- 322.01575 166.3
[M+CH3COO]- 336.03140 194.5
[M+Na-2H]- 297.99222 156.3
[M]+ 277.01700 159.0
[M]- 277.01810 159.0
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