CID 111020

2,3-dichloropropionyl chloride

Structural Information

Molecular Formula
C3H3Cl3O
SMILES
C(C(C(=O)Cl)Cl)Cl
InChI
InChI=1S/C3H3Cl3O/c4-1-2(5)3(6)7/h2H,1H2
InChIKey
JQELECXPPAOSTM-UHFFFAOYSA-N
Compound name
2,3-dichloropropanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

228
Patents

159.92494 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.93222 124.8
[M+Na]+ 182.91416 137.2
[M+NH4]+ 177.95876 133.6
[M+K]+ 198.88810 131.1
[M-H]- 158.91766 124.0
[M+Na-2H]- 180.89961 129.6
[M]+ 159.92439 127.1
[M]- 159.92549 127.1
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