CID 85562

1,1,2,2,3-pentachloropropane

Structural Information

Molecular Formula
C3H3Cl5
SMILES
C(C(C(Cl)Cl)(Cl)Cl)Cl
InChI
InChI=1S/C3H3Cl5/c4-1-3(7,8)2(5)6/h2H,1H2
InChIKey
IYFMQUDCYNWFTL-UHFFFAOYSA-N
Compound name
1,1,2,2,3-pentachloropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

813
Patents

213.86774 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.87502 146.6
[M+Na]+ 236.85696 158.3
[M+NH4]+ 231.90156 154.5
[M+K]+ 252.83090 151.3
[M-H]- 212.86046 145.0
[M+Na-2H]- 234.84241 150.4
[M]+ 213.86719 149.0
[M]- 213.86829 149.0
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