CID 15902

Hexachloropropene

Structural Information

Molecular Formula
C3Cl6
SMILES
C(=C(Cl)Cl)(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C3Cl6/c4-1(2(5)6)3(7,8)9
InChIKey
VFDYKPARTDCDCU-UHFFFAOYSA-N
Compound name
1,1,2,3,3,3-hexachloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

1467
Patents

245.81311 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.82039 149.1
[M+Na]+ 268.80233 155.5
[M-H]- 244.80583 142.8
[M+NH4]+ 263.84693 164.1
[M+K]+ 284.77627 151.4
[M+H-H2O]+ 228.81037 148.5
[M+HCOO]- 290.81131 139.1
[M+CH3COO]- 304.82696 194.4
[M+Na-2H]- 266.78778 147.8
[M]+ 245.81256 143.2
[M]- 245.81366 143.2
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