CID 11446754

Methyl 2-bromo-2-fluoropropanoate

Structural Information

Molecular Formula

C₄H₆BrFO₂

SMILES

CC(C(=O)OC)(F)Br

InChI

InChI=1S/C4H6BrFO2/c1-4(5,6)3(7)8-2/h1-2H3

InChIKey

IKRDKJVRFGHKNK-UHFFFAOYSA-N

Compound name

methyl 2-bromo-2-fluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 183.95352 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]+	184.96080	129.0
[M+Na]+	206.94274	141.0
[M-H]-	182.94624	131.4
[M+NH4]+	201.98734	152.5
[M+K]+	222.91668	132.1
[M+H-H2O]+	166.95078	129.7
[M+HCOO]-	228.95172	148.2
[M+CH3COO]-	242.96737	178.3
[M+Na-2H]-	204.92819	136.9
[M]+	183.95297	147.6
[M]-	183.95407	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe