CID 9389

Perflubrodec

Structural Information

Molecular Formula
C10BrF21
SMILES
C(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10BrF21/c11-9(28,29)7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32
InChIKey
JCAULFRGWRHHIG-UHFFFAOYSA-N
Compound name
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

1169
Patents

597.8848 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.892076 196.5
[M+Na]+ 620.874018 201.5
[M-H]- 596.877524 203.8
[M+NH4]+ 615.918623 205.9
[M+K]+ 636.847958 211.6
[M+H-H2O]+ 580.882060 185.2
[M+HCOO]- 642.883001 215.1
[M+CH3COO]- 656.898651 246.3
[M+Na-2H]- 618.859466 196.4
[M]+ 597.88425142 194.5
[M]- 597.88534858 194.5
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