CID 10770404

18-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctadecane

Structural Information

Molecular Formula
C18H20BrF17
SMILES
C(CCCCCBr)CCCCC(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/C18H20BrF17/c19-10-8-6-4-2-1-3-5-7-9-11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)36/h1-10H2
InChIKey
DAPVOZHBSIXKMY-UHFFFAOYSA-N
Compound name
18-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

638.04767 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.05495 217.5
[M+Na]+ 661.03689 222.2
[M-H]- 637.04039 219.4
[M+NH4]+ 656.08149 224.9
[M+K]+ 677.01083 232.1
[M+H-H2O]+ 621.04493 206.7
[M+HCOO]- 683.04587 233.9
[M+CH3COO]- 697.06152 255.2
[M+Na-2H]- 659.02234 212.5
[M]+ 638.04712 214.8
[M]- 638.04822 214.8
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.