CID 555359

1-phenyl-1h-pyrazol-4-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

11
References

56
Patents

160.06366 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe