CID 464842

173908-49-1

Structural Information

Molecular Formula
C11H8ClNO4S
SMILES
C1=CC=C(C(=C1)S(=O)(=O)N2C=CC=C2C(=O)O)Cl
InChI
InChI=1S/C11H8ClNO4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-7H,(H,14,15)
InChIKey
VNSHVIMXDPKVOQ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)sulfonylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.98627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.99355 158.4
[M+Na]+ 307.97549 169.1
[M-H]- 283.97899 164.0
[M+NH4]+ 303.02009 175.4
[M+K]+ 323.94943 164.1
[M+H-H2O]+ 267.98353 153.2
[M+HCOO]- 329.98447 171.0
[M+CH3COO]- 344.00012 189.9
[M+Na-2H]- 305.96094 160.3
[M]+ 284.98572 163.5
[M]- 284.98682 163.5
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

No patent data available for this compound.