CID 84660822

1-bromo-4,4-difluoropentane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.98557 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.99285 139.5
[M+Na]+ 208.97479 140.2
[M+NH4]+ 204.01939 143.3
[M+K]+ 224.94873 140.1
[M-H]- 184.97829 135.6
[M+Na-2H]- 206.96024 139.9
[M]+ 185.98502 137.2
[M]- 185.98612 137.2
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.