CID 16773326

3-(cyclopentylsulfamoyl)benzoic acid

Structural Information

Molecular Formula
C12H15NO4S
SMILES
C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C12H15NO4S/c14-12(15)9-4-3-7-11(8-9)18(16,17)13-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6H2,(H,14,15)
InChIKey
ZUBQTNFHDPACBZ-UHFFFAOYSA-N
Compound name
3-(cyclopentylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

269.07217 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 158.9
[M+Na]+ 292.06139 164.5
[M-H]- 268.06489 164.1
[M+NH4]+ 287.10599 176.1
[M+K]+ 308.03533 161.3
[M+H-H2O]+ 252.06943 153.0
[M+HCOO]- 314.07037 175.0
[M+CH3COO]- 328.08602 191.0
[M+Na-2H]- 290.04684 160.3
[M]+ 269.07162 158.0
[M]- 269.07272 158.0
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