CID 45790936

364-47-6

Structural Information

Molecular Formula

C₁₀H₈F₆O

SMILES

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

InChI

InChI=1S/C10H8F6O/c1-5(17)7-4-6(9(11,12)13)2-3-8(7)10(14,15)16/h2-5,17H,1H3

InChIKey

JQSGCKQDLFXCFT-UHFFFAOYSA-N

Compound name

1-[2,5-bis(trifluoromethyl)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 258.04794 Da
Monoisotopic Mass: 3.2
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]+	259.05522	169.3
[M+Na]+	281.03716	174.1
[M+NH4]+	276.08176	171.3
[M+K]+	297.01110	170.3
[M-H]-	257.04066	162.4
[M+Na-2H]-	279.02261	169.3
[M]+	258.04739	167.7
[M]-	258.04849	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe