CID 3867224

1-(4-chlorophenyl)-3-(4-fluorophenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C16H10ClFN2O
SMILES
C1=CC(=CC=C1C2=NN(C=C2C=O)C3=CC=C(C=C3)Cl)F
InChI
InChI=1S/C16H10ClFN2O/c17-13-3-7-15(8-4-13)20-9-12(10-21)16(19-20)11-1-5-14(18)6-2-11/h1-10H
InChIKey
BFHHADIPUFFLOO-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04657 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05385 165.3
[M+Na]+ 323.03579 177.1
[M-H]- 299.03929 171.8
[M+NH4]+ 318.08039 180.4
[M+K]+ 339.00973 169.6
[M+H-H2O]+ 283.04383 155.3
[M+HCOO]- 345.04477 183.0
[M+CH3COO]- 359.06042 177.6
[M+Na-2H]- 321.02124 167.7
[M]+ 300.04602 167.6
[M]- 300.04712 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.