CID 87785059

1-bromo-3,3-difluoropentane

Structural Information

Molecular Formula
C5H9BrF2
SMILES
CCC(CCBr)(F)F
InChI
InChI=1S/C5H9BrF2/c1-2-5(7,8)3-4-6/h2-4H2,1H3
InChIKey
WWMZMYXHCJCPOX-UHFFFAOYSA-N
Compound name
1-bromo-3,3-difluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.98557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.992846 133.5
[M+Na]+ 208.974788 145.1
[M-H]- 184.978294 134.3
[M+NH4]+ 204.019393 156.9
[M+K]+ 224.948728 134.9
[M+H-H2O]+ 168.982830 133.4
[M+HCOO]- 230.983771 151.6
[M+CH3COO]- 244.999421 181.0
[M+Na-2H]- 206.960236 141.2
[M]+ 185.98502142 149.8
[M]- 185.98611858 149.8
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

patents stripe