CID 31167

3-(n-(m-trifluoromethylphenyl)formimidoyl)indole

Structural Information

Molecular Formula
C16H11F3N2
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H11F3N2/c17-16(18,19)12-4-3-5-13(8-12)20-9-11-10-21-15-7-2-1-6-14(11)15/h1-10,21H
InChIKey
XLDXPJATSYYKQB-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

288.08743 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09471 161.5
[M+Na]+ 311.07665 171.8
[M-H]- 287.08015 164.7
[M+NH4]+ 306.12125 178.5
[M+K]+ 327.05059 164.7
[M+H-H2O]+ 271.08469 151.2
[M+HCOO]- 333.08563 182.4
[M+CH3COO]- 347.10128 173.2
[M+Na-2H]- 309.06210 167.8
[M]+ 288.08688 158.4
[M]- 288.08798 158.4
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