CID 28373120

1-(2,4-dichlorophenyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H6Cl2N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)N2C=C(C=N2)C(=O)O
InChI
InChI=1S/C10H6Cl2N2O2/c11-7-1-2-9(8(12)3-7)14-5-6(4-13-14)10(15)16/h1-5H,(H,15,16)
InChIKey
KTVDXAMDPPHMCX-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.98064 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.98792 149.2
[M+Na]+ 278.96986 160.6
[M-H]- 254.97336 152.2
[M+NH4]+ 274.01446 166.0
[M+K]+ 294.94380 154.7
[M+H-H2O]+ 238.97790 142.7
[M+HCOO]- 300.97884 161.3
[M+CH3COO]- 314.99449 188.7
[M+Na-2H]- 276.95531 151.8
[M]+ 255.98009 152.5
[M]- 255.98119 152.5
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.