CID 3740497

618383-12-3

Structural Information

Molecular Formula
C17H12Cl2N2O2
SMILES
CC1=CC(=CC=C1)N2C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C17H12Cl2N2O2/c1-10-3-2-4-12(7-10)21-16(17(22)23)9-15(20-21)13-6-5-11(18)8-14(13)19/h2-9H,1H3,(H,22,23)
InChIKey
CRMANJSACRBXOJ-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0276 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03488 177.1
[M+Na]+ 369.01682 194.2
[M+NH4]+ 364.06142 184.9
[M+K]+ 384.99076 187.4
[M-H]- 345.02032 181.6
[M+Na-2H]- 367.00227 186.0
[M]+ 346.02705 181.5
[M]- 346.02815 181.5
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.