CID 6431

Hexafluoroethane

Structural Information

Molecular Formula
C2F6
SMILES
C(C(F)(F)F)(F)(F)F
InChI
InChI=1S/C2F6/c3-1(4,5)2(6,7)8
InChIKey
WMIYKQLTONQJES-UHFFFAOYSA-N
Compound name
1,1,1,2,2,2-hexafluoroethane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

81
References

21034
Patents

137.99042 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.99770 115.0
[M+Na]+ 160.97964 124.9
[M-H]- 136.98314 108.4
[M+NH4]+ 156.02424 136.5
[M+K]+ 176.95358 124.2
[M+H-H2O]+ 120.98768 107.0
[M+HCOO]- 182.98862 130.5
[M+CH3COO]- 197.00427 172.7
[M+Na-2H]- 158.96509 122.0
[M]+ 137.98987 105.8
[M]- 137.99097 105.8
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