CID 10920924

2-ethylpropanedioyl dichloride

Structural Information

Molecular Formula
C5H6Cl2O2
SMILES
CCC(C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C5H6Cl2O2/c1-2-3(4(6)8)5(7)9/h3H,2H2,1H3
InChIKey
IPOVOSHRRIJKBR-UHFFFAOYSA-N
Compound name
2-ethylpropanedioyl dichloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3989
Patents

167.97449 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98177 126.8
[M+Na]+ 190.96371 135.5
[M-H]- 166.96721 127.0
[M+NH4]+ 186.00831 148.4
[M+K]+ 206.93765 132.7
[M+H-H2O]+ 150.97175 124.8
[M+HCOO]- 212.97269 139.5
[M+CH3COO]- 226.98834 177.6
[M+Na-2H]- 188.94916 129.9
[M]+ 167.97394 130.1
[M]- 167.97504 130.1
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