CID 2778110

2-chloro-5-(trifluoromethyl)benzylalcohol

Structural Information

Molecular Formula

C₈H₆ClF₃O

SMILES

C1=CC(=C(C=C1C(F)(F)F)CO)Cl

InChI

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

InChIKey

VEKMDPQNERMQMO-UHFFFAOYSA-N

Compound name

[2-chloro-5-(trifluoromethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
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	135.0
[M+Na]+	232.99514	145.8
[M-H]-	208.99864	134.1
[M+NH4]+	228.03974	154.6
[M+K]+	248.96908	140.8
[M+H-H2O]+	193.00318	128.8
[M+HCOO]-	255.00412	149.4
[M+CH3COO]-	269.01977	181.8
[M+Na-2H]-	230.98059	140.5
[M]+	210.00537	132.9
[M]-	210.00647	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe