CID 4656677

116827-40-8

Structural Information

Molecular Formula

C₈H₆ClF₃O

SMILES

C1=CC=C(C(=C1)CCl)OC(F)(F)F

InChI

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

InChIKey

ZGXDTWNEZOBSBJ-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-2-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 210.00592 Da
Monoisotopic Mass: 3.6
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	141.3
[M+Na]+	232.99514	151.9
[M+NH4]+	228.03974	148.0
[M+K]+	248.96908	145.8
[M-H]-	208.99864	138.8
[M+Na-2H]-	230.98059	146.7
[M]+	210.00537	142.2
[M]-	210.00647	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe