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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.008496 138.7
[M+Na]+ 222.990438 149.0
[M-H]- 198.993944 139.2
[M+NH4]+ 218.035043 161.4
[M+K]+ 238.964378 139.0
[M+H-H2O]+ 182.998480 137.8
[M+HCOO]- 244.999421 156.0
[M+CH3COO]- 259.015071 185.0
[M+Na-2H]- 220.975886 143.0
[M]+ 200.00067142 154.6
[M]- 200.00176858 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.