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

190
Patents

160.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.6
[M+Na]+ 183.052878 139.9
[M-H]- 159.056384 133.9
[M+NH4]+ 178.097483 149.8
[M+K]+ 199.026818 136.8
[M+H-H2O]+ 143.060920 123.1
[M+HCOO]- 205.061861 153.6
[M+CH3COO]- 219.077511 144.4
[M+Na-2H]- 181.038326 137.6
[M]+ 160.06311142 129.7
[M]- 160.06420858 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