CID 88107501

Schembl7182111

Structural Information

Molecular Formula
C7H7ClO5
SMILES
CCC(C1(C(=O)OC1=O)C(=O)O)Cl
InChI
InChI=1S/C7H7ClO5/c1-2-3(8)7(4(9)10)5(11)13-6(7)12/h3H,2H2,1H3,(H,9,10)
InChIKey
SNKRXHOGJCJJFJ-UHFFFAOYSA-N
Compound name
3-(1-chloropropyl)-2,4-dioxooxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

205.9982 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.005476 131.2
[M+Na]+ 228.987418 139.1
[M-H]- 204.990924 134.7
[M+NH4]+ 224.032023 144.6
[M+K]+ 244.961358 141.3
[M+H-H2O]+ 188.995460 124.1
[M+HCOO]- 250.996401 146.0
[M+CH3COO]- 265.012051 184.0
[M+Na-2H]- 226.972866 135.7
[M]+ 205.99765142 144.0
[M]- 205.99874858 144.0
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

patents stripe