CID 3506344

618098-81-0

Structural Information

Molecular Formula
C17H12ClFN2O
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C17H12ClFN2O/c1-11-2-4-12(5-3-11)17-13(10-22)9-21(20-17)14-6-7-16(19)15(18)8-14/h2-10H,1H3
InChIKey
JCTPIZDEKWCZAU-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06223 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06951 171.8
[M+Na]+ 337.05145 188.6
[M+NH4]+ 332.09605 179.7
[M+K]+ 353.02539 181.1
[M-H]- 313.05495 175.9
[M+Na-2H]- 335.03690 181.3
[M]+ 314.06168 175.8
[M]- 314.06278 175.8
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.