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]+ 454.967446 202.7
[M+Na]+ 476.949388 214.2
[M-H]- 452.952894 191.7
[M+NH4]+ 471.993993 214.4
[M+K]+ 492.923328 201.1
[M+H-H2O]+ 436.957430 194.0
[M+HCOO]- 498.958371 201.0
[M+CH3COO]- 512.974021 226.2
[M+Na-2H]- 474.934836 203.7
[M]+ 453.95962142 200.7
[M]- 453.96071858 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

patents stripe