CID 520490

1,1,3,5,6-pentachlorononafluorohexane

Structural Information

Molecular Formula
C6Cl5F9
SMILES
C(C(C(C(F)(Cl)Cl)(F)F)(F)Cl)(C(C(F)(F)Cl)(F)Cl)(F)F
InChI
InChI=1S/C6Cl5F9/c7-1(12,4(16,17)5(9,10)18)3(14,15)2(8,13)6(11,19)20
InChIKey
DVAVTWDOWVBESE-UHFFFAOYSA-N
Compound name
1,1,3,5,6-pentachloro-1,2,2,3,4,4,5,6,6-nonafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

417.8299 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.83718 164.3
[M+Na]+ 440.81912 173.0
[M-H]- 416.82262 152.4
[M+NH4]+ 435.86372 174.6
[M+K]+ 456.79306 166.6
[M+H-H2O]+ 400.82716 156.2
[M+HCOO]- 462.82810 147.2
[M+CH3COO]- 476.84375 219.4
[M+Na-2H]- 438.80457 166.4
[M]+ 417.82935 152.4
[M]- 417.83045 152.4
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