CID 132351168

2-(bromodifluoromethyl)-2-methyloxirane

Structural Information

Molecular Formula

C₄H₅BrF₂O

SMILES

CC1(CO1)C(F)(F)Br

InChI

InChI=1S/C4H5BrF2O/c1-3(2-8-3)4(5,6)7/h2H2,1H3

InChIKey

YGXZFXIVQCKZIX-UHFFFAOYSA-N

Compound name

2-[bromo(difluoro)methyl]-2-methyloxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.94917 Da
Monoisotopic Mass: 1.6
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]+	186.95645	128.4
[M+Na]+	208.93839	142.7
[M-H]-	184.94189	134.5
[M+NH4]+	203.98299	147.8
[M+K]+	224.91233	134.4
[M+H-H2O]+	168.94643	128.3
[M+HCOO]-	230.94737	146.4
[M+CH3COO]-	244.96302	181.2
[M+Na-2H]-	206.92384	139.3
[M]+	185.94862	147.4
[M]-	185.94972	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.