CID 1392653

198205-95-7

Structural Information

Molecular Formula

C₁₄H₉F₃O

SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C=O)C(F)(F)F

InChI

InChI=1S/C14H9F3O/c15-14(16,17)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-9H

InChIKey

SDDRLRQYSYHJED-UHFFFAOYSA-N

Compound name

4-[2-(trifluoromethyl)phenyl]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 250.06055 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.06783	158.6
[M+Na]+	273.04977	170.6
[M+NH4]+	268.09437	165.0
[M+K]+	289.02371	163.2
[M-H]-	249.05327	158.3
[M+Na-2H]-	271.03522	165.8
[M]+	250.06000	160.2
[M]-	250.06110	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe