CID 690809

(1e)-1-(3,5-dichlorophenyl)-2-(4-fluorophenyl)-1-azaethene

Structural Information

Molecular Formula
C13H8Cl2FN
SMILES
C1=CC(=CC=C1C=NC2=CC(=CC(=C2)Cl)Cl)F
InChI
InChI=1S/C13H8Cl2FN/c14-10-5-11(15)7-13(6-10)17-8-9-1-3-12(16)4-2-9/h1-8H
InChIKey
JANXXARWZJZKBL-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-1-(4-fluorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.00177 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00905 154.0
[M+Na]+ 289.99099 165.1
[M-H]- 265.99449 160.3
[M+NH4]+ 285.03559 172.5
[M+K]+ 305.96493 157.9
[M+H-H2O]+ 249.99903 147.2
[M+HCOO]- 311.99997 170.5
[M+CH3COO]- 326.01562 199.2
[M+Na-2H]- 287.97644 159.2
[M]+ 267.00122 156.7
[M]- 267.00232 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe