CID 2736337

128454-94-4

Structural Information

Molecular Formula
C8H2BrF13
SMILES
C(=CBr)C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H2BrF13/c9-2-1-3(6(14,15)16,7(17,18)19)4(10,11)5(12,13)8(20,21)22/h1-2H
InChIKey
KVLSPRHWDKLGCE-UHFFFAOYSA-N
Compound name
1-bromo-4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

423.91324 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.92052 182.7
[M+Na]+ 446.90246 181.9
[M+NH4]+ 441.94706 181.7
[M+K]+ 462.87640 181.0
[M-H]- 422.90596 178.7
[M+Na-2H]- 444.88791 180.6
[M]+ 423.91269 181.2
[M]- 423.91379 181.2
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.