CID 126844321

1-bromo-5,5-difluorohexane

Structural Information

Molecular Formula
C6H11BrF2
SMILES
CC(CCCCBr)(F)F
InChI
InChI=1S/C6H11BrF2/c1-6(8,9)4-2-3-5-7/h2-5H2,1H3
InChIKey
UGIYDWGRRIHVAL-UHFFFAOYSA-N
Compound name
1-bromo-5,5-difluorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.00122 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00850 143.9
[M+Na]+ 222.99044 144.4
[M+NH4]+ 218.03504 147.6
[M+K]+ 238.96438 144.1
[M-H]- 198.99394 140.0
[M+Na-2H]- 220.97589 144.0
[M]+ 200.00067 141.6
[M]- 200.00177 141.6
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

patents stripe