CID 11173021

2-(bromomethyl)hexafluoropropan-2-ol

Structural Information

Molecular Formula

C₄H₃BrF₆O

SMILES

C(C(C(F)(F)F)(C(F)(F)F)O)Br

InChI

InChI=1S/C4H3BrF6O/c5-1-2(12,3(6,7)8)4(9,10)11/h12H,1H2

InChIKey

XMGSMOCOWOKNNK-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 259.92715 Da
Monoisotopic Mass: 2.4
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]+	260.93443	149.0
[M+Na]+	282.91637	161.4
[M-H]-	258.91987	144.1
[M+NH4]+	277.96097	168.5
[M+K]+	298.89031	149.9
[M+H-H2O]+	242.92441	146.2
[M+HCOO]-	304.92535	159.0
[M+CH3COO]-	318.94100	187.9
[M+Na-2H]-	280.90182	155.1
[M]+	259.92660	157.6
[M]-	259.92770	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe