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

678
Patents

247.82877 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.836046 149.2
[M+Na]+ 270.817988 155.3
[M-H]- 246.821494 142.9
[M+NH4]+ 265.862593 164.1
[M+K]+ 286.791928 151.7
[M+H-H2O]+ 230.826030 148.5
[M+HCOO]- 292.826971 139.1
[M+CH3COO]- 306.842621 195.7
[M+Na-2H]- 268.803436 148.0
[M]+ 247.82822142 144.0
[M]- 247.82931858 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