CID 136574245

1-(4-hydroxyphenyl)-1h-pyrazol-3-ol hydrobromide

Structural Information

Molecular Formula
C9H8N2O2
SMILES
C1=CC(=CC=C1N2C=CC(=O)N2)O
InChI
InChI=1S/C9H8N2O2/c12-8-3-1-7(2-4-8)11-6-5-9(13)10-11/h1-6,12H,(H,10,13)
InChIKey
QIGKXZHYPZVYGM-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-1H-pyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.05858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 133.8
[M+Na]+ 199.04780 143.8
[M-H]- 175.05130 136.2
[M+NH4]+ 194.09240 151.8
[M+K]+ 215.02174 139.6
[M+H-H2O]+ 159.05584 126.8
[M+HCOO]- 221.05678 155.7
[M+CH3COO]- 235.07243 172.7
[M+Na-2H]- 197.03325 139.6
[M]+ 176.05803 132.2
[M]- 176.05913 132.2
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

patents stripe