CID 927399

4-chloro-n-(4-fluorobenzylidene)-aniline

Structural Information

Molecular Formula
C13H9ClFN
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)Cl)F
InChI
InChI=1S/C13H9ClFN/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-9H
InChIKey
LGUPYHGCMTUTDL-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.04076 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04804 147.4
[M+Na]+ 256.02998 157.2
[M-H]- 232.03348 154.2
[M+NH4]+ 251.07458 166.6
[M+K]+ 272.00392 151.4
[M+H-H2O]+ 216.03802 139.8
[M+HCOO]- 278.03896 169.2
[M+CH3COO]- 292.05461 193.7
[M+Na-2H]- 254.01543 154.2
[M]+ 233.04021 148.4
[M]- 233.04131 148.4
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

patents stripe