CID 101659665

3-fluoro-1-iodobutane

Structural Information

Molecular Formula

SMILES

CC(CCI)F

InChI

InChI=1S/C4H8FI/c1-4(5)2-3-6/h4H,2-3H2,1H3

InChIKey

LQAQFPBLJGJZRQ-UHFFFAOYSA-N

Compound name

3-fluoro-1-iodobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.96548 Da
Monoisotopic Mass: 2.5
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]+	202.97276	125.0
[M+Na]+	224.95470	125.6
[M-H]-	200.95820	117.7
[M+NH4]+	219.99930	143.5
[M+K]+	240.92864	131.5
[M+H-H2O]+	184.96274	116.7
[M+HCOO]-	246.96368	142.2
[M+CH3COO]-	260.97933	177.1
[M+Na-2H]-	222.94015	118.8
[M]+	201.96493	121.5
[M]-	201.96603	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.