CID 50989315

1-(2-methanesulfonylphenyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O4S
SMILES
CS(=O)(=O)C1=CC=CC=C1N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C11H10N2O4S/c1-18(16,17)10-5-3-2-4-9(10)13-7-8(6-12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey
FEHVIIQOIDBVDY-UHFFFAOYSA-N
Compound name
1-(2-methylsulfonylphenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03613 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04341 157.5
[M+Na]+ 289.02535 168.5
[M+NH4]+ 284.06995 163.0
[M+K]+ 304.99929 164.8
[M-H]- 265.02885 157.2
[M+Na-2H]- 287.01080 162.6
[M]+ 266.03558 159.2
[M]- 266.03668 159.2
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.