CID 142783

3-(trifluoromethoxy)benzyl alcohol

Structural Information

Molecular Formula

C₈H₇F₃O₂

SMILES

C1=CC(=CC(=C1)OC(F)(F)F)CO

InChI

InChI=1S/C8H7F3O2/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4,12H,5H2

InChIKey

XRGSSROOYSFMMS-UHFFFAOYSA-N

Compound name

[3-(trifluoromethoxy)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 508
Patents: 192.03981 Da
Monoisotopic Mass: 2.4
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]+	193.04709	134.1
[M+Na]+	215.02903	143.1
[M-H]-	191.03253	132.9
[M+NH4]+	210.07363	153.2
[M+K]+	231.00297	140.7
[M+H-H2O]+	175.03707	126.6
[M+HCOO]-	237.03801	153.2
[M+CH3COO]-	251.05366	178.8
[M+Na-2H]-	213.01448	140.6
[M]+	192.03926	130.9
[M]-	192.04036	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe