CID 140621

1-bromo-2-fluoro-2-methylpropane

Structural Information

Molecular Formula

SMILES

CC(C)(CBr)F

InChI

InChI=1S/C4H8BrF/c1-4(2,6)3-5/h3H2,1-2H3

InChIKey

LJNXHUCQQXLSHS-UHFFFAOYSA-N

Compound name

1-bromo-2-fluoro-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 153.97934 Da
Monoisotopic Mass: 1.9
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]+	154.98662	124.9
[M+Na]+	176.96856	137.0
[M-H]-	152.97206	127.3
[M+NH4]+	172.01316	149.7
[M+K]+	192.94250	127.4
[M+H-H2O]+	136.97660	126.0
[M+HCOO]-	198.97754	144.4
[M+CH3COO]-	212.99319	175.5
[M+Na-2H]-	174.95401	133.9
[M]+	153.97879	142.2
[M]-	153.97989	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe