CID 19780786

5,6-dichloro-1,1,1,2,2,3,3,4,4-nonafluorohexane

Structural Information

Molecular Formula
C6H3Cl2F9
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl)Cl
InChI
InChI=1S/C6H3Cl2F9/c7-1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2
InChIKey
WUKSEPWXPNRVEU-UHFFFAOYSA-N
Compound name
5,6-dichloro-1,1,1,2,2,3,3,4,4-nonafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

315.9468 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.95408 146.3
[M+Na]+ 338.93602 156.5
[M-H]- 314.93952 136.0
[M+NH4]+ 333.98062 161.7
[M+K]+ 354.90996 150.9
[M+H-H2O]+ 298.94406 137.1
[M+HCOO]- 360.94500 144.7
[M+CH3COO]- 374.96065 203.5
[M+Na-2H]- 336.92147 149.5
[M]+ 315.94625 135.9
[M]- 315.94735 135.9
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