CID 30616

1,1,2-trichloropropene

Structural Information

Molecular Formula
C3H3Cl3
SMILES
CC(=C(Cl)Cl)Cl
InChI
InChI=1S/C3H3Cl3/c1-2(4)3(5)6/h1H3
InChIKey
LIPPKMMVZOHCIF-UHFFFAOYSA-N
Compound name
1,1,2-trichloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1974
Patents

143.93004 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.937316 120.8
[M+Na]+ 166.919258 130.0
[M-H]- 142.922764 119.8
[M+NH4]+ 161.963863 143.1
[M+K]+ 182.893198 125.8
[M+H-H2O]+ 126.927300 119.7
[M+HCOO]- 188.928241 128.7
[M+CH3COO]- 202.943891 173.4
[M+Na-2H]- 164.904706 124.9
[M]+ 143.92949142 121.2
[M]- 143.93058858 121.2
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