CID 2736781

236736-19-9

Structural Information

Molecular Formula
C6H3Br2F9
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Br)Br
InChI
InChI=1S/C6H3Br2F9/c7-1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2
InChIKey
ABBOXTQECRSSQR-UHFFFAOYSA-N
Compound name
5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

403.8458 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.85308 184.2
[M+Na]+ 426.83502 195.4
[M-H]- 402.83852 179.9
[M+NH4]+ 421.87962 199.0
[M+K]+ 442.80896 178.3
[M+H-H2O]+ 386.84306 186.4
[M+HCOO]- 448.84400 186.8
[M+CH3COO]- 462.85965 217.9
[M+Na-2H]- 424.82047 185.6
[M]+ 403.84525 204.7
[M]- 403.84635 204.7
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