CID 2103972

3-[(propan-2-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C10H13NO4S
SMILES
CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C10H13NO4S/c1-7(2)11-16(14,15)9-5-3-4-8(6-9)10(12)13/h3-7,11H,1-2H3,(H,12,13)
InChIKey
KYDKEDOKJHAVBZ-UHFFFAOYSA-N
Compound name
3-(propan-2-ylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

243.05653 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06381 150.5
[M+Na]+ 266.04575 157.1
[M-H]- 242.04925 152.9
[M+NH4]+ 261.09035 167.1
[M+K]+ 282.01969 154.6
[M+H-H2O]+ 226.05379 144.6
[M+HCOO]- 288.05473 166.6
[M+CH3COO]- 302.07038 189.5
[M+Na-2H]- 264.03120 153.0
[M]+ 243.05598 152.4
[M]- 243.05708 152.4
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