CID 45050983

4-chloro-n-(1-phenylethylidene)-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C15H11ClF3N
SMILES
CC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)C2=CC=CC=C2
InChI
InChI=1S/C15H11ClF3N/c1-10(11-5-3-2-4-6-11)20-14-8-7-12(16)9-13(14)15(17,18)19/h2-9H,1H3
InChIKey
XXBWCGAGOXQTEY-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.05322 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06050 162.4
[M+Na]+ 320.04244 171.7
[M-H]- 296.04594 166.6
[M+NH4]+ 315.08704 179.0
[M+K]+ 336.01638 165.4
[M+H-H2O]+ 280.05048 153.0
[M+HCOO]- 342.05142 178.8
[M+CH3COO]- 356.06707 205.6
[M+Na-2H]- 318.02789 166.4
[M]+ 297.05267 160.8
[M]- 297.05377 160.8
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.