CID 7286

1,2,3-trichloro-1-propene

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

3
References

808
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 121.6
[M+Na]+ 166.91926 131.0
[M-H]- 142.92276 120.4
[M+NH4]+ 161.96386 143.9
[M+K]+ 182.89320 126.4
[M+H-H2O]+ 126.92730 120.4
[M+HCOO]- 188.92824 130.4
[M+CH3COO]- 202.94389 172.6
[M+Na-2H]- 164.90471 126.8
[M]+ 143.92949 122.5
[M]- 143.93059 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.