CID 3333285

1-bromo-3-(heptadecafluorooctyl)benzene

Structural Information

Molecular Formula
C14H4BrF17
SMILES
C1=CC(=CC(=C1)Br)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H4BrF17/c15-6-3-1-2-5(4-6)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)32/h1-4H
InChIKey
CCDZSLNFIBUPNY-UHFFFAOYSA-N
Compound name
1-bromo-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.9225 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.92978 164.5
[M+Na]+ 596.91172 164.4
[M+NH4]+ 591.95632 164.2
[M+K]+ 612.88566 164.7
[M-H]- 572.91522 163.3
[M+Na-2H]- 594.89717 164.6
[M]+ 573.92195 164.1
[M]- 573.92305 164.1
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.