CID 7021593

4-hydroxy-3-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula

C₈H₅F₃O₂

SMILES

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

InChI

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

InChIKey

ZLMUFCNWTPSOSN-UHFFFAOYSA-N

Compound name

4-hydroxy-3-(trifluoromethyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 300
Patents: 190.02417 Da
Monoisotopic Mass: 1.9
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]+	191.03145	141.9
[M+Na]+	213.01339	151.4
[M+NH4]+	208.05799	147.3
[M+K]+	228.98733	146.6
[M-H]-	189.01689	138.3
[M+Na-2H]-	210.99884	145.7
[M]+	190.02362	142.0
[M]-	190.02472	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe