CID 117819

1,3,3-trichloropropene

Structural Information

Molecular Formula
C3H3Cl3
SMILES
C(=CCl)C(Cl)Cl
InChI
InChI=1S/C3H3Cl3/c4-2-1-3(5)6/h1-3H
InChIKey
KHMZDLNSWZGRDB-UHFFFAOYSA-N
Compound name
1,3,3-trichloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

634
Patents

143.93004 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.937316 121.6
[M+Na]+ 166.919258 131.0
[M-H]- 142.922764 120.4
[M+NH4]+ 161.963863 143.9
[M+K]+ 182.893198 126.4
[M+H-H2O]+ 126.927300 120.4
[M+HCOO]- 188.928241 130.4
[M+CH3COO]- 202.943891 172.6
[M+Na-2H]- 164.904706 126.8
[M]+ 143.92949142 122.5
[M]- 143.93058858 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

literature stripe

Patent stripe

patents stripe