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
3
Annotation Hits

2
References

215
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 126.3
[M+Na]+ 234.84132 136.4
[M-H]- 210.84482 125.7
[M+NH4]+ 229.88592 142.9
[M+K]+ 250.81526 133.1
[M+H-H2O]+ 194.84936 126.3
[M+HCOO]- 256.85030 124.9
[M+CH3COO]- 270.86595 190.2
[M+Na-2H]- 232.82677 130.5
[M]+ 211.85155 126.7
[M]- 211.85265 126.7
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