CID 2736349

1-bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane

Structural Information

Molecular Formula
C6H4BrF9
SMILES
C(CBr)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H4BrF9/c7-2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H2
InChIKey
UDFSAZKDTBRQDY-UHFFFAOYSA-N
Compound name
6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

325.93527 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.94255 167.3
[M+Na]+ 348.92449 179.7
[M-H]- 324.92799 160.2
[M+NH4]+ 343.96909 184.4
[M+K]+ 364.89843 167.6
[M+H-H2O]+ 308.93253 161.8
[M+HCOO]- 370.93347 173.4
[M+CH3COO]- 384.94912 203.8
[M+Na-2H]- 346.90994 171.3
[M]+ 325.93472 171.9
[M]- 325.93582 171.9
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