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 138.2
[M+Na]+ 222.99044 149.4
[M-H]- 198.99394 138.8
[M+NH4]+ 218.03504 161.1
[M+K]+ 238.96438 138.9
[M+H-H2O]+ 182.99848 137.9
[M+HCOO]- 244.99942 156.0
[M+CH3COO]- 259.01507 183.8
[M+Na-2H]- 220.97589 145.4
[M]+ 200.00067 154.9
[M]- 200.00177 154.9
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