CID 69636

Hexafluoro-1,3-butadiene

Structural Information

Molecular Formula
C4F6
SMILES
C(=C(F)F)(C(=C(F)F)F)F
InChI
InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10
InChIKey
LGPPATCNSOSOQH-UHFFFAOYSA-N
Compound name
1,1,2,3,4,4-hexafluorobuta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

7002
Patents

161.99042 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.99770 122.0
[M+Na]+ 184.97964 130.1
[M-H]- 160.98314 114.9
[M+NH4]+ 180.02424 142.1
[M+K]+ 200.95358 128.5
[M+H-H2O]+ 144.98768 112.8
[M+HCOO]- 206.98862 136.5
[M+CH3COO]- 221.00427 178.8
[M+Na-2H]- 182.96509 121.8
[M]+ 161.98987 110.8
[M]- 161.99097 110.8
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