CID 550348

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

Structural Information

Molecular Formula
C6HF13
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F
InChI
InChI=1S/C6HF13/c7-1(3(10,11)5(14,15)16)2(8,9)4(12,13)6(17,18)19/h1H
InChIKey
BSJCNKQSUUXNNN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

91
Patents

319.98706 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.99434 154.5
[M+Na]+ 342.97628 164.2
[M-H]- 318.97978 140.5
[M+NH4]+ 338.02088 167.7
[M+K]+ 358.95022 161.5
[M+H-H2O]+ 302.98432 141.3
[M+HCOO]- 364.98526 155.9
[M+CH3COO]- 379.00091 207.8
[M+Na-2H]- 340.96173 156.6
[M]+ 319.98651 133.9
[M]- 319.98761 133.9
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