CID 2760720

398156-35-9

Structural Information

Molecular Formula

C₁₄H₉F₃O₂

SMILES

C1=CC(=CC=C1C=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C14H9F3O2/c15-14(16,17)19-13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-9H

InChIKey

RGOCXZBOSHHAIQ-UHFFFAOYSA-N

Compound name

4-[4-(trifluoromethoxy)phenyl]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 266.05545 Da
Monoisotopic Mass: 4.2
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]+	267.06273	161.6
[M+Na]+	289.04467	173.0
[M+NH4]+	284.08927	167.4
[M+K]+	305.01861	166.2
[M-H]-	265.04817	160.8
[M+Na-2H]-	287.03012	168.3
[M]+	266.05490	162.9
[M]-	266.05600	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe