CID 688697

2-hydroxyphenyl 1-phenyl-1h-pyrazol-4-yl ketone

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3O
InChI
InChI=1S/C16H12N2O2/c19-15-9-5-4-8-14(15)16(20)12-10-17-18(11-12)13-6-2-1-3-7-13/h1-11,19H
InChIKey
WTRJNEICFURGNX-UHFFFAOYSA-N
Compound name
(2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

33
Patents

264.08987 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 158.7
[M+Na]+ 287.079088 166.9
[M-H]- 263.082594 165.1
[M+NH4]+ 282.123693 173.1
[M+K]+ 303.053028 161.9
[M+H-H2O]+ 247.087130 149.5
[M+HCOO]- 309.088071 180.0
[M+CH3COO]- 323.103721 170.5
[M+Na-2H]- 285.064536 162.4
[M]+ 264.08932142 158.1
[M]- 264.09041858 158.1
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