CID 2777254

2-(trifluoromethoxy)benzyl bromide

Structural Information

Molecular Formula

C₈H₆BrF₃O

SMILES

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

InChI

InChI=1S/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2

InChIKey

TUNSVUOTVLWNQT-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-2-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 607
Patents: 253.95541 Da
Monoisotopic Mass: 3.8
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]+	254.96269	154.6
[M+Na]+	276.94463	156.2
[M+NH4]+	271.98923	157.7
[M+K]+	292.91857	155.6
[M-H]-	252.94813	151.2
[M+Na-2H]-	274.93008	156.3
[M]+	253.95486	152.7
[M]-	253.95596	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe