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]+ 266.97638 147.8
[M+Na]+ 288.95832 160.2
[M-H]- 264.96182 154.0
[M+NH4]+ 284.00292 166.5
[M+K]+ 304.93226 149.0
[M+H-H2O]+ 248.96636 146.8
[M+HCOO]- 310.96730 167.5
[M+CH3COO]- 324.98295 189.1
[M+Na-2H]- 286.94377 153.4
[M]+ 265.96855 166.4
[M]- 265.96965 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

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Patent stripe

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