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]+ 251.11789 156.6
[M+Na]+ 273.09983 164.7
[M-H]- 249.10333 163.7
[M+NH4]+ 268.14443 172.3
[M+K]+ 289.07377 159.5
[M+H-H2O]+ 233.10787 146.9
[M+HCOO]- 295.10881 178.7
[M+CH3COO]- 309.12446 168.8
[M+Na-2H]- 271.08528 160.7
[M]+ 250.11006 155.5
[M]- 250.11116 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.