CID 1506796

4-(4-bromo-1h-pyrazol-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H7BrN2O2
SMILES
C1=CC(=CC=C1C(=O)O)N2C=C(C=N2)Br
InChI
InChI=1S/C10H7BrN2O2/c11-8-5-12-13(6-8)9-3-1-7(2-4-9)10(14)15/h1-6H,(H,14,15)
InChIKey
WAAQQRWNTQPCCV-UHFFFAOYSA-N
Compound name
4-(4-bromopyrazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.