CID 4713531

4-[(butan-2-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C11H15NO4S
SMILES
CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H15NO4S/c1-3-8(2)12-17(15,16)10-6-4-9(5-7-10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)
InChIKey
WANWYPLZKGZMTG-UHFFFAOYSA-N
Compound name
4-(butan-2-ylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.07217 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07945 156.3
[M+Na]+ 280.06139 164.8
[M+NH4]+ 275.10599 161.9
[M+K]+ 296.03533 159.9
[M-H]- 256.06489 155.6
[M+Na-2H]- 278.04684 159.7
[M]+ 257.07162 157.4
[M]- 257.07272 157.4
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