CID 155971073

Ethyl 6-bromo-4,4-difluorohexanoate

Structural Information

Molecular Formula
C8H13BrF2O2
SMILES
CCOC(=O)CCC(CCBr)(F)F
InChI
InChI=1S/C8H13BrF2O2/c1-2-13-7(12)3-4-8(10,11)5-6-9/h2-6H2,1H3
InChIKey
CIRQFGKTEFKESZ-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-4,4-difluorohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0067 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.01398 151.7
[M+Na]+ 280.99592 162.2
[M-H]- 256.99942 152.0
[M+NH4]+ 276.04052 172.3
[M+K]+ 296.96986 151.7
[M+H-H2O]+ 241.00396 150.7
[M+HCOO]- 303.00490 168.6
[M+CH3COO]- 317.02055 192.1
[M+Na-2H]- 278.98137 156.7
[M]+ 258.00615 170.5
[M]- 258.00725 170.5
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

No patent data available for this compound.