CID 67811

2,2,3,3-tetrachlorohexafluorobutane

Structural Information

Molecular Formula
C4Cl4F6
SMILES
C(C(C(F)(F)F)(Cl)Cl)(C(F)(F)F)(Cl)Cl
InChI
InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
InChIKey
BZBLUUDREZEDDJ-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluorobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

243
Patents

301.86584 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.87312 143.3
[M+Na]+ 324.85506 153.4
[M-H]- 300.85856 134.9
[M+NH4]+ 319.89966 159.0
[M+K]+ 340.82900 147.3
[M+H-H2O]+ 284.86310 137.7
[M+HCOO]- 346.86404 136.1
[M+CH3COO]- 360.87969 198.8
[M+Na-2H]- 322.84051 147.6
[M]+ 301.86529 136.3
[M]- 301.86639 136.3
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