CID 16690

2233-00-3

Structural Information

Molecular Formula
C3H3Cl3
SMILES
C=CC(Cl)(Cl)Cl
InChI
InChI=1S/C3H3Cl3/c1-2-3(4,5)6/h2H,1H2
InChIKey
VKEIPALYOJMDAC-UHFFFAOYSA-N
Compound name
3,3,3-trichloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1881
Patents

143.93004 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.937316 122.6
[M+Na]+ 166.919258 132.7
[M-H]- 142.922764 121.8
[M+NH4]+ 161.963863 145.2
[M+K]+ 182.893198 128.0
[M+H-H2O]+ 126.927300 121.7
[M+HCOO]- 188.928241 130.8
[M+CH3COO]- 202.943891 172.1
[M+Na-2H]- 164.904706 129.4
[M]+ 143.92949142 123.6
[M]- 143.93058858 123.6
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