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

0
Patents

185.98557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.99285 133.5
[M+Na]+ 208.97479 145.1
[M-H]- 184.97829 134.3
[M+NH4]+ 204.01939 156.9
[M+K]+ 224.94873 134.9
[M+H-H2O]+ 168.98283 133.4
[M+HCOO]- 230.98377 151.6
[M+CH3COO]- 244.99942 181.0
[M+Na-2H]- 206.96024 141.2
[M]+ 185.98502 149.8
[M]- 185.98612 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

No patent data available for this compound.