CID 19215

1,1,1,3,3,3-hexachloropropane

Structural Information

Molecular Formula
C3H2Cl6
SMILES
C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C3H2Cl6/c4-2(5,6)1-3(7,8)9/h1H2
InChIKey
BBEAZDGZMVABIC-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexachloropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1401
Patents

247.82877 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.83605 154.3
[M+Na]+ 270.81799 161.0
[M-H]- 246.82149 148.1
[M+NH4]+ 265.86259 169.3
[M+K]+ 286.79193 157.0
[M+H-H2O]+ 230.82603 153.1
[M+HCOO]- 292.82697 144.1
[M+CH3COO]- 306.84262 194.2
[M+Na-2H]- 268.80344 155.0
[M]+ 247.82822 149.1
[M]- 247.82932 149.1
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