CID 67730

1h-perfluorohexane

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

11
References

12095
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 164.0
[M-H]- 318.97978 140.4
[M+NH4]+ 338.02088 167.6
[M+K]+ 358.95022 161.3
[M+H-H2O]+ 302.98432 141.1
[M+HCOO]- 364.98526 155.8
[M+CH3COO]- 379.00091 208.4
[M+Na-2H]- 340.96173 156.5
[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

literature stripe

Patent stripe

patents stripe