CID 22631

Pentachlorocyclopropane

Structural Information

Molecular Formula
C3HCl5
SMILES
C1(C(C1(Cl)Cl)(Cl)Cl)Cl
InChI
InChI=1S/C3HCl5/c4-1-2(5,6)3(1,7)8/h1H
InChIKey
IACJMSLMMMSESC-UHFFFAOYSA-N
Compound name
1,1,2,2,3-pentachlorocyclopropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

168
Patents

211.8521 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.85938 135.3
[M+Na]+ 234.84132 149.3
[M+NH4]+ 229.88592 146.2
[M+K]+ 250.81526 140.9
[M-H]- 210.84482 141.0
[M+Na-2H]- 232.82677 145.0
[M]+ 211.85155 141.2
[M]- 211.85265 141.2
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