CID 15545308

10-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane

Structural Information

Molecular Formula
C10H8BrF13
SMILES
C(CCBr)CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8BrF13/c11-4-2-1-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h1-4H2
InChIKey
YRVYJBQNWNWCQB-UHFFFAOYSA-N
Compound name
10-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

453.96017 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.96745 202.7
[M+Na]+ 476.94939 214.2
[M-H]- 452.95289 191.7
[M+NH4]+ 471.99399 214.4
[M+K]+ 492.92333 201.1
[M+H-H2O]+ 436.95743 194.0
[M+HCOO]- 498.95837 201.0
[M+CH3COO]- 512.97402 226.2
[M+Na-2H]- 474.93484 203.7
[M]+ 453.95962 200.7
[M]- 453.96072 200.7
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.