CID 15568328

2-(1h-pyrazol-1-yl)phenol hydrobromide

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC=C(C(=C1)N2C=CC=N2)O
InChI
InChI=1S/C9H8N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h1-7,12H
InChIKey
BMTGLHWYLKPGMY-UHFFFAOYSA-N
Compound name
2-pyrazol-1-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

160.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 130.6
[M+Na]+ 183.05288 139.9
[M-H]- 159.05638 133.9
[M+NH4]+ 178.09748 149.8
[M+K]+ 199.02682 136.8
[M+H-H2O]+ 143.06092 123.1
[M+HCOO]- 205.06186 153.6
[M+CH3COO]- 219.07751 144.4
[M+Na-2H]- 181.03833 137.6
[M]+ 160.06311 129.7
[M]- 160.06421 129.7
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