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

35
Patents

215.97615 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.983426 140.7
[M+Na]+ 238.965368 151.3
[M-H]- 214.968874 139.9
[M+NH4]+ 234.009973 162.6
[M+K]+ 254.939308 140.3
[M+H-H2O]+ 198.973410 139.0
[M+HCOO]- 260.974351 157.2
[M+CH3COO]- 274.990001 186.1
[M+Na-2H]- 236.950816 144.3
[M]+ 215.97560142 154.6
[M]- 215.97669858 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