CID 19597835

5-bromo-1,1-difluoropentane

Structural Information

Molecular Formula
C5H9BrF2
SMILES
C(CCBr)CC(F)F
InChI
InChI=1S/C5H9BrF2/c6-4-2-1-3-5(7)8/h5H,1-4H2
InChIKey
PRJYYKITZGKQDH-UHFFFAOYSA-N
Compound name
5-bromo-1,1-difluoropentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 133.3
[M+Na]+ 208.97479 144.2
[M-H]- 184.97829 133.9
[M+NH4]+ 204.01939 156.5
[M+K]+ 224.94873 134.1
[M+H-H2O]+ 168.98283 132.6
[M+HCOO]- 230.98377 151.9
[M+CH3COO]- 244.99942 181.4
[M+Na-2H]- 206.96024 139.3
[M]+ 185.98502 149.5
[M]- 185.98612 149.5
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