CID 67641

336-19-6

Structural Information

Molecular Formula
C6Cl2F8
SMILES
C1(=C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)Cl)Cl
InChI
InChI=1S/C6Cl2F8/c7-1-2(8)4(11,12)6(15,16)5(13,14)3(1,9)10
InChIKey
BICOGOBTBGYGFA-UHFFFAOYSA-N
Compound name
1,2-dichloro-3,3,4,4,5,5,6,6-octafluorocyclohexene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

85
Patents

293.92493 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.93221 125.3
[M+Na]+ 316.91415 141.5
[M-H]- 292.91765 120.9
[M+NH4]+ 311.95875 150.2
[M+K]+ 332.88809 135.3
[M+H-H2O]+ 276.92219 119.9
[M+HCOO]- 338.92313 131.0
[M+CH3COO]- 352.93878 199.3
[M+Na-2H]- 314.89960 130.3
[M]+ 293.92438 118.4
[M]- 293.92548 118.4
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