CID 2782246

21652-57-3

Structural Information

Molecular Formula
C10H4BrF17
SMILES
C(CBr)C(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/C10H4BrF17/c11-2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1-2H2
InChIKey
TWWJQNJBBMHHAO-UHFFFAOYSA-N
Compound name
10-bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

525.9225 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.92978 220.0
[M+Na]+ 548.91172 196.3
[M-H]- 524.91522 194.6
[M+NH4]+ 543.95632 198.0
[M+K]+ 564.88566 219.2
[M+H-H2O]+ 508.91976 209.2
[M+HCOO]- 570.92070 209.4
[M+CH3COO]- 584.93635 237.0
[M+Na-2H]- 546.89717 220.3
[M]+ 525.92195 188.5
[M]- 525.92305 188.5
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