CID 3491580

3-(2,4-dichlorophenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C16H10Cl2N2O
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)C=O
InChI
InChI=1S/C16H10Cl2N2O/c17-12-6-7-14(15(18)8-12)16-11(10-21)9-20(19-16)13-4-2-1-3-5-13/h1-10H
InChIKey
VTARMRNEMHXGDF-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.01703 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.02431 169.7
[M+Na]+ 339.00625 181.6
[M-H]- 315.00975 176.6
[M+NH4]+ 334.05085 184.6
[M+K]+ 354.98019 173.6
[M+H-H2O]+ 299.01429 160.7
[M+HCOO]- 361.01523 183.1
[M+CH3COO]- 375.03088 181.6
[M+Na-2H]- 336.99170 171.7
[M]+ 316.01648 174.1
[M]- 316.01758 174.1
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

No patent data available for this compound.