CID 5370144

1,2,3-trichloropropene

Structural Information

Molecular Formula
C3H3Cl3
SMILES
C(/C(=C/Cl)/Cl)Cl
InChI
InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-
InChIKey
HIILBTHBHCLUER-IWQZZHSRSA-N
Compound name
(Z)-1,2,3-trichloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

453
Patents

143.93004 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.93732 122.2
[M+Na]+ 166.91926 135.4
[M+NH4]+ 161.96386 131.6
[M+K]+ 182.89320 128.0
[M-H]- 142.92276 122.1
[M+Na-2H]- 164.90471 127.7
[M]+ 143.92949 124.8
[M]- 143.93059 124.8
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