CID 12815

1,2-dichlorohexafluorocyclopentene

Structural Information

Molecular Formula
C5Cl2F6
SMILES
C1(=C(C(C(C1(F)F)(F)F)(F)F)Cl)Cl
InChI
InChI=1S/C5Cl2F6/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKey
ABPBVCKGWWGZDP-UHFFFAOYSA-N
Compound name
1,2-dichloro-3,3,4,4,5,5-hexafluorocyclopentene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

321
Patents

243.92813 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93541 120.8
[M+Na]+ 266.91735 136.4
[M-H]- 242.92085 118.3
[M+NH4]+ 261.96195 147.5
[M+K]+ 282.89129 130.1
[M+H-H2O]+ 226.92539 116.3
[M+HCOO]- 288.92633 130.6
[M+CH3COO]- 302.94198 189.3
[M+Na-2H]- 264.90280 125.5
[M]+ 243.92758 116.8
[M]- 243.92868 116.8
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