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
4
Annotation Hits

0
References

1813
Patents

143.93004 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.93732 120.8
[M+Na]+ 166.91926 130.0
[M-H]- 142.92276 119.8
[M+NH4]+ 161.96386 143.1
[M+K]+ 182.89320 125.8
[M+H-H2O]+ 126.92730 119.7
[M+HCOO]- 188.92824 128.7
[M+CH3COO]- 202.94389 173.4
[M+Na-2H]- 164.90471 124.9
[M]+ 143.92949 121.2
[M]- 143.93059 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