CID 2736851

1,6-dichloroperfluorohexane

Structural Information

Molecular Formula
C6Cl2F12
SMILES
C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(F)(F)Cl)(F)F)(F)F
InChI
InChI=1S/C6Cl2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
InChIKey
SNCGKZWVZZPGDQ-UHFFFAOYSA-N
Compound name
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

369.91855 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.92583 192.6
[M+Na]+ 392.90777 192.6
[M+NH4]+ 387.95237 191.6
[M+K]+ 408.88171 190.3
[M-H]- 368.91127 187.1
[M+Na-2H]- 390.89322 189.6
[M]+ 369.91800 190.9
[M]- 369.91910 190.9
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