CID 138040027

1-bromo-2,2-difluoro-3-methoxypropane

Structural Information

Molecular Formula

C₄H₇BrF₂O

SMILES

COCC(CBr)(F)F

InChI

InChI=1S/C4H7BrF2O/c1-8-3-4(6,7)2-5/h2-3H2,1H3

InChIKey

PKLLXFAFOCUCCR-UHFFFAOYSA-N

Compound name

1-bromo-2,2-difluoro-3-methoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.96483 Da
Monoisotopic Mass: 1.5
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]+	188.97211	138.3
[M+Na]+	210.95405	138.7
[M+NH4]+	205.99865	141.7
[M+K]+	226.92799	139.2
[M-H]-	186.95755	133.9
[M+Na-2H]-	208.93950	138.4
[M]+	187.96428	135.8
[M]-	187.96538	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.