CID 70699714

4-(3,5-dichlorophenyl)-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C13H7Cl2FO
SMILES
C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)F)C=O
InChI
InChI=1S/C13H7Cl2FO/c14-11-3-10(4-12(15)6-11)8-1-2-9(7-17)13(16)5-8/h1-7H
InChIKey
MIZDCJVWRWQQIU-UHFFFAOYSA-N
Compound name
4-(3,5-dichlorophenyl)-2-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9858 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99308 150.8
[M+Na]+ 290.97502 163.1
[M-H]- 266.97852 156.3
[M+NH4]+ 286.01962 169.2
[M+K]+ 306.94896 155.9
[M+H-H2O]+ 250.98306 144.8
[M+HCOO]- 312.98400 165.2
[M+CH3COO]- 326.99965 195.7
[M+Na-2H]- 288.96047 154.8
[M]+ 267.98525 154.2
[M]- 267.98635 154.2
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.