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]+ 306.943856 156.6
[M+Na]+ 328.925798 168.8
[M-H]- 304.929304 157.8
[M+NH4]+ 323.970403 171.2
[M+K]+ 344.899738 162.3
[M+H-H2O]+ 288.933840 151.4
[M+HCOO]- 350.934781 162.0
[M+CH3COO]- 364.950431 196.1
[M+Na-2H]- 326.911246 156.5
[M]+ 305.93603142 160.2
[M]- 305.93712858 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.