CID 3731829

618383-14-5

Structural Information

Molecular Formula
C16H9Cl3N2O2
SMILES
C1=CC(=CC(=C1)Cl)N2C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C16H9Cl3N2O2/c17-9-2-1-3-11(6-9)21-15(16(22)23)8-14(20-21)12-5-4-10(18)7-13(12)19/h1-8H,(H,22,23)
InChIKey
GJENDLPZOYIVNO-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-5-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.97296 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.98024 176.6
[M+Na]+ 388.96218 188.2
[M-H]- 364.96568 181.5
[M+NH4]+ 384.00678 189.0
[M+K]+ 404.93612 180.3
[M+H-H2O]+ 348.97022 168.7
[M+HCOO]- 410.97116 182.4
[M+CH3COO]- 424.98681 186.9
[M+Na-2H]- 386.94763 175.8
[M]+ 365.97241 180.8
[M]- 365.97351 180.8
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

No patent data available for this compound.