CID 23236470

7,7,8-tribromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane

Structural Information

Molecular Formula
C8H2Br3F13
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Br)Br)Br
InChI
InChI=1S/C8H2Br3F13/c9-1-2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H2
InChIKey
OKURPQGPBHMFLE-UHFFFAOYSA-N
Compound name
7,7,8-tribromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

581.7499 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.75718 226.7
[M+Na]+ 604.73912 234.8
[M-H]- 580.74262 222.2
[M+NH4]+ 599.78372 234.9
[M+K]+ 620.71306 217.3
[M+H-H2O]+ 564.74716 233.4
[M+HCOO]- 626.74810 222.3
[M+CH3COO]- 640.76375 240.9
[M+Na-2H]- 602.72457 224.1
[M]+ 581.74935 249.8
[M]- 581.75045 249.8
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.