CID 69573

4-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula

C₈H₅F₃O₂

SMILES

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

InChI

InChI=1S/C8H5F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-5H

InChIKey

XQNVDQZWOBPLQZ-UHFFFAOYSA-N

Compound name

4-(trifluoromethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2609
Patents: 190.02417 Da
Monoisotopic Mass: 3.0
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]+	191.03145	141.7
[M+Na]+	213.01339	151.3
[M+NH4]+	208.05799	147.4
[M+K]+	228.98733	146.0
[M-H]-	189.01689	138.5
[M+Na-2H]-	210.99884	146.2
[M]+	190.02362	141.9
[M]-	190.02472	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe