CID 44557937

3-chloro-4-(trifluoromethyl)benzyl alcohol

Structural Information

Molecular Formula

C₈H₆ClF₃O

SMILES

C1=CC(=C(C=C1CO)Cl)C(F)(F)F

InChI

InChI=1S/C8H6ClF3O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2

InChIKey

ILMGAIHSRGUIOL-UHFFFAOYSA-N

Compound name

[3-chloro-4-(trifluoromethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 210.00592 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]+	211.01320	141.5
[M+Na]+	232.99514	152.0
[M+NH4]+	228.03974	147.9
[M+K]+	248.96908	146.3
[M-H]-	208.99864	138.6
[M+Na-2H]-	230.98059	146.2
[M]+	210.00537	142.3
[M]-	210.00647	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe