CID 15338

1-propene, 1,1,2,3,3-pentachloro-

Structural Information

Molecular Formula
C3HCl5
SMILES
C(C(=C(Cl)Cl)Cl)(Cl)Cl
InChI
InChI=1S/C3HCl5/c4-1(2(5)6)3(7)8/h2H
InChIKey
MAXQCYDCBHPIAB-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentachloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

305
Patents

211.8521 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.85938 135.9
[M+Na]+ 234.84132 143.3
[M-H]- 210.84482 131.6
[M+NH4]+ 229.88592 153.6
[M+K]+ 250.81526 138.7
[M+H-H2O]+ 194.84936 135.6
[M+HCOO]- 256.85030 132.0
[M+CH3COO]- 270.86595 188.1
[M+Na-2H]- 232.82677 135.7
[M]+ 211.85155 132.9
[M]- 211.85265 132.9
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