CID 45081483

183508-40-9

Structural Information

Molecular Formula
C6H7ClO4
SMILES
CCOC(=O)[C@@H]1[C@H](O1)C(=O)Cl
InChI
InChI=1S/C6H7ClO4/c1-2-10-6(9)4-3(11-4)5(7)8/h3-4H,2H2,1H3/t3-,4-/m0/s1
InChIKey
FGPIILQTNRSYKS-IMJSIDKUSA-N
Compound name
ethyl (2S,3S)-3-carbonochloridoyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.00328 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01056 131.2
[M+Na]+ 200.99250 141.8
[M-H]- 176.99600 136.9
[M+NH4]+ 196.03710 146.2
[M+K]+ 216.96644 140.5
[M+H-H2O]+ 161.00054 126.4
[M+HCOO]- 223.00148 149.2
[M+CH3COO]- 237.01713 181.3
[M+Na-2H]- 198.97795 136.5
[M]+ 178.00273 139.4
[M]- 178.00383 139.4
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.