CID 12535337

2,5-dioxopyrrolidin-1-yl 2-chloroacetate

Structural Information

Molecular Formula
C6H6ClNO4
SMILES
C1CC(=O)N(C1=O)OC(=O)CCl
InChI
InChI=1S/C6H6ClNO4/c7-3-6(11)12-8-4(9)1-2-5(8)10/h1-3H2
InChIKey
OWZGNRBFMASABS-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

190.99854 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.00582 133.8
[M+Na]+ 213.98776 143.3
[M-H]- 189.99126 136.3
[M+NH4]+ 209.03236 154.6
[M+K]+ 229.96170 141.4
[M+H-H2O]+ 173.99580 129.0
[M+HCOO]- 235.99674 151.7
[M+CH3COO]- 250.01239 177.6
[M+Na-2H]- 211.97321 136.4
[M]+ 190.99799 136.4
[M]- 190.99909 136.4
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