CID 2783351

161583-34-2

Structural Information

Molecular Formula
C8H4BrF13
SMILES
C(CBr)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4BrF13/c9-2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2
InChIKey
AJIHCPVPJZKWAJ-UHFFFAOYSA-N
Compound name
8-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

425.9289 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.93618 193.7
[M+Na]+ 448.91812 205.9
[M-H]- 424.92162 183.0
[M+NH4]+ 443.96272 206.4
[M+K]+ 464.89206 193.3
[M+H-H2O]+ 408.92616 185.4
[M+HCOO]- 470.92710 192.5
[M+CH3COO]- 484.94275 221.1
[M+Na-2H]- 446.90357 195.7
[M]+ 425.92835 191.0
[M]- 425.92945 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe