CID 222065

1,1,1,2,3,3-hexachloropropane

Structural Information

Molecular Formula
C3H2Cl6
SMILES
C(C(Cl)Cl)(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C3H2Cl6/c4-1(2(5)6)3(7,8)9/h1-2H
InChIKey
ARPHZKDALCEJAD-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexachloropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

656
Patents

247.82877 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.83605 149.2
[M+Na]+ 270.81799 155.3
[M-H]- 246.82149 142.9
[M+NH4]+ 265.86259 164.1
[M+K]+ 286.79193 151.7
[M+H-H2O]+ 230.82603 148.5
[M+HCOO]- 292.82697 139.1
[M+CH3COO]- 306.84262 195.7
[M+Na-2H]- 268.80344 148.0
[M]+ 247.82822 144.0
[M]- 247.82932 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe