CID 11678

Octachloropropane

Structural Information

Molecular Formula
C3Cl8
SMILES
C(C(Cl)(Cl)Cl)(C(Cl)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C3Cl8/c4-1(5,2(6,7)8)3(9,10)11
InChIKey
QQAHAGNPDBPSJP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,3-octachloropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1304
Patents

315.75082 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.758096 182.7
[M+Na]+ 338.740038 185.7
[M-H]- 314.743544 172.4
[M+NH4]+ 333.784643 191.6
[M+K]+ 354.713978 184.2
[M+H-H2O]+ 298.748080 180.2
[M+HCOO]- 360.749021 162.2
[M+CH3COO]- 374.764671 209.2
[M+Na-2H]- 336.725486 177.9
[M]+ 315.75027142 170.2
[M]- 315.75136858 170.2
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