CID 111020

2,3-dichloropropanoyl 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

260
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 122.9
[M+Na]+ 182.91416 132.2
[M-H]- 158.91766 122.0
[M+NH4]+ 177.95876 144.6
[M+K]+ 198.88810 128.4
[M+H-H2O]+ 142.92220 121.8
[M+HCOO]- 204.92314 131.2
[M+CH3COO]- 218.93879 175.9
[M+Na-2H]- 180.89961 127.1
[M]+ 159.92439 124.9
[M]- 159.92549 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.