CID 4250953

N-(4-methoxybenzylidene)-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C15H12F3NO
SMILES
COC1=CC=C(C=C1)C=NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H12F3NO/c1-20-14-7-5-11(6-8-14)10-19-13-4-2-3-12(9-13)15(16,17)18/h2-10H,1H3
InChIKey
USRCFJUXDYYDDD-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0871 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09438 159.9
[M+Na]+ 302.07632 168.6
[M-H]- 278.07982 164.3
[M+NH4]+ 297.12092 176.3
[M+K]+ 318.05026 164.3
[M+H-H2O]+ 262.08436 149.6
[M+HCOO]- 324.08530 182.1
[M+CH3COO]- 338.10095 203.2
[M+Na-2H]- 300.06177 165.6
[M]+ 279.08655 157.9
[M]- 279.08765 157.9
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.