CID 2769611

618383-09-8

Structural Information

Molecular Formula
C17H13ClN2O2S
SMILES
CSC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O2S/c1-23-14-8-2-11(3-9-14)15-10-16(17(21)22)20(19-15)13-6-4-12(18)5-7-13/h2-10H,1H3,(H,21,22)
InChIKey
OTCYPZWTFRNAHU-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.03864 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04592 177.9
[M+Na]+ 367.02786 193.7
[M+NH4]+ 362.07246 186.0
[M+K]+ 383.00180 185.4
[M-H]- 343.03136 182.7
[M+Na-2H]- 365.01331 186.6
[M]+ 344.03809 182.4
[M]- 344.03919 182.4
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.