CID 10380153

1,1,1,2,2,3,3,4,5,6,6,6-dodecafluorohexane

Structural Information

Molecular Formula
C6H2F12
SMILES
C(C(C(F)(F)F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6H2F12/c7-1(2(8)4(11,12)13)3(9,10)5(14,15)6(16,17)18/h1-2H
InChIKey
CFFHSACFFDWUFU-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,5,6,6,6-dodecafluorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

301.9965 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00378 150.3
[M+Na]+ 324.98572 159.4
[M-H]- 300.98922 136.9
[M+NH4]+ 320.03032 164.3
[M+K]+ 340.95966 156.9
[M+H-H2O]+ 284.99376 137.4
[M+HCOO]- 346.99470 153.2
[M+CH3COO]- 361.01035 204.9
[M+Na-2H]- 322.97117 150.9
[M]+ 301.99595 131.2
[M]- 301.99705 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe