CID 31282

1,2-bis((chlorocarbonyl)oxy)ethane

Structural Information

Molecular Formula
C4H4Cl2O4
SMILES
C(COC(=O)Cl)OC(=O)Cl
InChI
InChI=1S/C4H4Cl2O4/c5-3(7)9-1-2-10-4(6)8/h1-2H2
InChIKey
FMACOGSACRRIMK-UHFFFAOYSA-N
Compound name
2-carbonochloridoyloxyethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

400
Patents

185.94867 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.95595 127.4
[M+Na]+ 208.93789 136.8
[M-H]- 184.94139 127.8
[M+NH4]+ 203.98249 148.5
[M+K]+ 224.91183 134.9
[M+H-H2O]+ 168.94593 125.2
[M+HCOO]- 230.94687 142.0
[M+CH3COO]- 244.96252 176.4
[M+Na-2H]- 206.92334 132.4
[M]+ 185.94812 133.7
[M]- 185.94922 133.7
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