CID 136272791

5-bromo-2-(1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC(=C(C=C1Br)O)C2=CC=NN2
InChI
InChI=1S/C9H7BrN2O/c10-6-1-2-7(9(13)5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChIKey
WZIZGAUXNYGZML-UHFFFAOYSA-N
Compound name
5-bromo-2-(1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97418 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 142.3
[M+Na]+ 260.963398 154.9
[M-H]- 236.966904 147.2
[M+NH4]+ 256.008003 161.7
[M+K]+ 276.937338 142.6
[M+H-H2O]+ 220.971440 141.7
[M+HCOO]- 282.972381 161.5
[M+CH3COO]- 296.988031 156.9
[M+Na-2H]- 258.948846 149.1
[M]+ 237.97363142 158.8
[M]- 237.97472858 158.8
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.