CID 3800881

3-(2,4-dichloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C16H7Cl2F3N2O
SMILES
C1=CC(=C(C=C1F)F)N2C=C(C(=N2)C3=CC(=C(C=C3Cl)Cl)F)C=O
InChI
InChI=1S/C16H7Cl2F3N2O/c17-11-5-12(18)13(20)4-10(11)16-8(7-24)6-23(22-16)15-2-1-9(19)3-14(15)21/h1-7H
InChIKey
UHVWYQFCFNADGJ-UHFFFAOYSA-N
Compound name
3-(2,4-dichloro-5-fluorophenyl)-1-(2,4-difluorophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.98874 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.99602 175.7
[M+Na]+ 392.97796 190.3
[M-H]- 368.98146 179.6
[M+NH4]+ 388.02256 189.1
[M+K]+ 408.95190 181.0
[M+H-H2O]+ 352.98600 164.6
[M+HCOO]- 414.98694 186.0
[M+CH3COO]- 429.00259 186.9
[M+Na-2H]- 390.96341 174.1
[M]+ 369.98819 178.5
[M]- 369.98929 178.5
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.