CID 2117579

3-(tert-butylsulfamoyl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

257.07217 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.079446 155.2
[M+Na]+ 280.061388 162.1
[M-H]- 256.064894 157.7
[M+NH4]+ 275.105993 171.5
[M+K]+ 296.035328 159.3
[M+H-H2O]+ 240.069430 149.6
[M+HCOO]- 302.070371 170.5
[M+CH3COO]- 316.086021 191.3
[M+Na-2H]- 278.046836 159.4
[M]+ 257.07162142 157.5
[M]- 257.07271858 157.5
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