CID 122164154

3-(bromomethyl)-1,1-difluoropentane

Structural Information

Molecular Formula

C₆H₁₁BrF₂

SMILES

CCC(CC(F)F)CBr

InChI

InChI=1S/C6H11BrF2/c1-2-5(4-7)3-6(8)9/h5-6H,2-4H2,1H3

InChIKey

HTGHQWCWMVPWOA-UHFFFAOYSA-N

Compound name

3-(bromomethyl)-1,1-difluoropentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.00122 Da
Monoisotopic Mass: 3.3
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]+	201.00850	138.7
[M+Na]+	222.99044	149.0
[M-H]-	198.99394	139.2
[M+NH4]+	218.03504	161.4
[M+K]+	238.96438	139.0
[M+H-H2O]+	182.99848	137.8
[M+HCOO]-	244.99942	156.0
[M+CH3COO]-	259.01507	185.0
[M+Na-2H]-	220.97589	143.0
[M]+	200.00067	154.6
[M]-	200.00177	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.