CID 250653

4-(methylsulfonamido)benzoic acid

Structural Information

Molecular Formula
C8H9NO4S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKey
SROHFTOYGFCJAF-UHFFFAOYSA-N
Compound name
4-(methanesulfonamido)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

307
Patents

215.02522 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03250 143.8
[M+Na]+ 238.01444 153.2
[M+NH4]+ 233.05904 150.0
[M+K]+ 253.98838 148.2
[M-H]- 214.01794 143.4
[M+Na-2H]- 235.99989 148.1
[M]+ 215.02467 145.2
[M]- 215.02577 145.2
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