CID 11601417

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

Structural Information

Molecular Formula
C10H7BrN2O2
SMILES
C1=CC(=CC=C1N2C=C(C=N2)C(=O)O)Br
InChI
InChI=1S/C10H7BrN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChIKey
GOJGAUFDFLULIK-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

265.9691 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.976376 147.8
[M+Na]+ 288.958318 160.2
[M-H]- 264.961824 154.0
[M+NH4]+ 284.002923 166.5
[M+K]+ 304.932258 149.0
[M+H-H2O]+ 248.966360 146.8
[M+HCOO]- 310.967301 167.5
[M+CH3COO]- 324.982951 189.1
[M+Na-2H]- 286.943766 153.4
[M]+ 265.96855142 166.4
[M]- 265.96964858 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe