CID 69654

Hexafluoro-2-butyne

Structural Information

Molecular Formula
C4F6
SMILES
C(#CC(F)(F)F)C(F)(F)F
InChI
InChI=1S/C4F6/c5-3(6,7)1-2-4(8,9)10
InChIKey
WBCLXFIDEDJGCC-UHFFFAOYSA-N
Compound name
1,1,1,4,4,4-hexafluorobut-2-yne
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

2790
Patents

161.99042 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.99770 117.1
[M+Na]+ 184.97964 127.6
[M-H]- 160.98314 110.1
[M+NH4]+ 180.02424 135.2
[M+K]+ 200.95358 126.1
[M+H-H2O]+ 144.98768 103.2
[M+HCOO]- 206.98862 127.6
[M+CH3COO]- 221.00427 185.0
[M+Na-2H]- 182.96509 122.6
[M]+ 161.98987 103.5
[M]- 161.99097 103.5
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