CID 43133848

1-(4-bromophenyl)-4-hydroxy-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H7BrN2O3
SMILES
C1=CC(=CC=C1N2C=C(C(=N2)C(=O)O)O)Br
InChI
InChI=1S/C10H7BrN2O3/c11-6-1-3-7(4-2-6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16)
InChIKey
LZZHUICARWOTFA-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.964 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.971276 150.7
[M+Na]+ 304.953218 163.2
[M-H]- 280.956724 156.0
[M+NH4]+ 299.997823 168.3
[M+K]+ 320.927158 151.7
[M+H-H2O]+ 264.961260 149.8
[M+HCOO]- 326.962201 169.1
[M+CH3COO]- 340.977851 189.9
[M+Na-2H]- 302.938666 155.3
[M]+ 281.96345142 169.2
[M]- 281.96454858 169.2
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.