CID 43363605

4-hydroxy-1-(2,4,5-trichlorophenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H5Cl3N2O3
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)N2C=C(C(=N2)C(=O)O)O
InChI
InChI=1S/C10H5Cl3N2O3/c11-4-1-6(13)7(2-5(4)12)15-3-8(16)9(14-15)10(17)18/h1-3,16H,(H,17,18)
InChIKey
HEHODTXZHOSVAM-UHFFFAOYSA-N
Compound name
4-hydroxy-1-(2,4,5-trichlorophenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.93658 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.94386 156.6
[M+Na]+ 328.92580 168.8
[M-H]- 304.92930 157.8
[M+NH4]+ 323.97040 171.2
[M+K]+ 344.89974 162.3
[M+H-H2O]+ 288.93384 151.4
[M+HCOO]- 350.93478 162.0
[M+CH3COO]- 364.95043 196.1
[M+Na-2H]- 326.91125 156.5
[M]+ 305.93603 160.2
[M]- 305.93713 160.2
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.