CID 67740

1,3-dichlorohexafluorocyclobutane

Structural Information

Molecular Formula
C4Cl2F6
SMILES
C1(C(C(C1(F)Cl)(F)F)(F)Cl)(F)F
InChI
InChI=1S/C4Cl2F6/c5-1(7)3(9,10)2(6,8)4(1,11)12
InChIKey
KRJPKQWOPWRKOT-UHFFFAOYSA-N
Compound name
1,3-dichloro-1,2,2,3,4,4-hexafluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

231.92813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.93541 118.5
[M+Na]+ 254.91735 132.9
[M-H]- 230.92085 116.7
[M+NH4]+ 249.96195 139.5
[M+K]+ 270.89129 129.6
[M+H-H2O]+ 214.92539 112.7
[M+HCOO]- 276.92633 126.9
[M+CH3COO]- 290.94198 190.8
[M+Na-2H]- 252.90280 125.7
[M]+ 231.92758 122.9
[M]- 231.92868 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe