CID 9805

Hexafluorobenzene

Structural Information

Molecular Formula
C6F6
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)F
InChI
InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
ZQBFAOFFOQMSGJ-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexafluorobenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

159
References

17391
Patents

185.99042 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.99770 123.3
[M+Na]+ 208.97964 136.9
[M-H]- 184.98314 121.0
[M+NH4]+ 204.02424 144.0
[M+K]+ 224.95358 133.3
[M+H-H2O]+ 168.98768 113.8
[M+HCOO]- 230.98862 142.3
[M+CH3COO]- 245.00427 185.3
[M+Na-2H]- 206.96509 126.2
[M]+ 185.98987 116.7
[M]- 185.99097 116.7
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