CID 2736414

6-bromo-1,1,2-trifluorohex-1-ene

Structural Information

Molecular Formula
C6H8BrF3
SMILES
C(CCBr)CC(=C(F)F)F
InChI
InChI=1S/C6H8BrF3/c7-4-2-1-3-5(8)6(9)10/h1-4H2
InChIKey
YSTVLPSZAHXMQI-UHFFFAOYSA-N
Compound name
6-bromo-1,1,2-trifluorohex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

215.97615 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98343 140.7
[M+Na]+ 238.96537 151.3
[M-H]- 214.96887 139.9
[M+NH4]+ 234.00997 162.6
[M+K]+ 254.93931 140.3
[M+H-H2O]+ 198.97341 139.0
[M+HCOO]- 260.97435 157.2
[M+CH3COO]- 274.99000 186.1
[M+Na-2H]- 236.95082 144.3
[M]+ 215.97560 154.6
[M]- 215.97670 154.6
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