CID 2748710

1-phenyl-1h-pyrazol-5-ol

Structural Information

Molecular Formula
C9H8N2O
SMILES
C1=CC=C(C=C1)N2C(=O)C=CN2
InChI
InChI=1S/C9H8N2O/c12-9-6-7-10-11(9)8-4-2-1-3-5-8/h1-7,10H
InChIKey
ILPGQKHPPSSCBS-UHFFFAOYSA-N
Compound name
2-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

672
Patents

160.06366 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.1
[M+Na]+ 183.052878 139.7
[M-H]- 159.056384 133.4
[M+NH4]+ 178.097483 149.3
[M+K]+ 199.026818 136.0
[M+H-H2O]+ 143.060920 122.7
[M+HCOO]- 205.061861 153.3
[M+CH3COO]- 219.077511 144.0
[M+Na-2H]- 181.038326 137.1
[M]+ 160.06311142 128.5
[M]- 160.06420858 128.5
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