CID 15500988

210039-65-9

Structural Information

Molecular Formula

C₈H₅F₃O₂

SMILES

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

InChI

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

InChIKey

BXQPCQLNANMZFL-UHFFFAOYSA-N

Compound name

2-hydroxy-5-(trifluoromethyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 278
Patents: 190.02417 Da
Monoisotopic Mass: 2.5
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	132.1
[M+Na]+	213.01339	142.3
[M-H]-	189.01689	131.4
[M+NH4]+	208.05799	151.5
[M+K]+	228.98733	139.3
[M+H-H2O]+	173.02143	125.0
[M+HCOO]-	235.02237	151.4
[M+CH3COO]-	249.03802	179.0
[M+Na-2H]-	210.99884	138.0
[M]+	190.02362	128.6
[M]-	190.02472	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe