CID 3799845

618101-75-0

Structural Information

Molecular Formula
C16H8Cl3FN2O
SMILES
C1=CC(=CC(=C1)Cl)N2C=C(C(=N2)C3=CC(=C(C=C3Cl)Cl)F)C=O
InChI
InChI=1S/C16H8Cl3FN2O/c17-10-2-1-3-11(4-10)22-7-9(8-23)16(21-22)12-5-15(20)14(19)6-13(12)18/h1-8H
InChIKey
SSKJHKMFWASXAM-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.96863 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.97591 177.6
[M+Na]+ 390.95785 191.0
[M-H]- 366.96135 182.3
[M+NH4]+ 386.00245 190.9
[M+K]+ 406.93179 182.2
[M+H-H2O]+ 350.96589 168.3
[M+HCOO]- 412.96683 184.3
[M+CH3COO]- 426.98248 188.3
[M+Na-2H]- 388.94330 176.6
[M]+ 367.96808 182.0
[M]- 367.96918 182.0
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.