CID 2852317

961-88-6

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C16H14N2O/c19-12-13-6-8-15(9-7-13)18-11-10-16(17-18)14-4-2-1-3-5-14/h1-9,12H,10-11H2
InChIKey
BKAAHCDXVXYPHA-UHFFFAOYSA-N
Compound name
4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

250.11061 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.117886 156.6
[M+Na]+ 273.099828 164.7
[M-H]- 249.103334 163.7
[M+NH4]+ 268.144433 172.3
[M+K]+ 289.073768 159.5
[M+H-H2O]+ 233.107870 146.9
[M+HCOO]- 295.108811 178.7
[M+CH3COO]- 309.124461 168.8
[M+Na-2H]- 271.085276 160.7
[M]+ 250.11006142 155.5
[M]- 250.11115858 155.5
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

No patent data available for this compound.