CID 2724693

106058-86-0

Structural Information

Molecular Formula
C12H11NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)O
InChI
InChI=1S/C12H11NO4S/c1-9-2-4-11(5-3-9)18(16,17)13-7-6-10(8-13)12(14)15/h2-8H,1H3,(H,14,15)
InChIKey
UYHPMGMXSFLPOF-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

265.0409 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 157.8
[M+Na]+ 288.03012 168.9
[M+NH4]+ 283.07472 164.0
[M+K]+ 304.00406 164.7
[M-H]- 264.03362 158.3
[M+Na-2H]- 286.01557 163.2
[M]+ 265.04035 159.8
[M]- 265.04145 159.8
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