CID 4185755

Veratrylidene-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C16H14F3NO2
SMILES
COC1=C(C=C(C=C1)C=NC2=CC=CC(=C2)C(F)(F)F)OC
InChI
InChI=1S/C16H14F3NO2/c1-21-14-7-6-11(8-15(14)22-2)10-20-13-5-3-4-12(9-13)16(17,18)19/h3-10H,1-2H3
InChIKey
GZTBLNPAZHPNBG-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.09766 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10494 167.9
[M+Na]+ 332.08688 176.9
[M-H]- 308.09038 172.5
[M+NH4]+ 327.13148 183.3
[M+K]+ 348.06082 173.0
[M+H-H2O]+ 292.09492 157.3
[M+HCOO]- 354.09586 189.9
[M+CH3COO]- 368.11151 209.4
[M+Na-2H]- 330.07233 172.3
[M]+ 309.09711 168.1
[M]- 309.09821 168.1
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.