CID 5387806

Nsc627591

Structural Information

Molecular Formula
C20H12O7
SMILES
C1OC2=C(O1)C=CC(=C2)/C=C/3\C(=O)OC(=O)\C3=C/C4=CC5=C(OCO5)C=C4
InChI
InChI=1S/C20H12O7/c21-19-13(5-11-1-3-15-17(7-11)25-9-23-15)14(20(22)27-19)6-12-2-4-16-18(8-12)26-10-24-16/h1-8H,9-10H2/b13-5-,14-6-
InChIKey
WLQGATXUBPNDGZ-GFIWHYBVSA-N
Compound name
(3Z,4Z)-3,4-bis(1,3-benzodioxol-5-ylmethylidene)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06558 178.4
[M+Na]+ 387.04752 187.7
[M-H]- 363.05102 193.8
[M+NH4]+ 382.09212 191.2
[M+K]+ 403.02146 188.6
[M+H-H2O]+ 347.05556 177.1
[M+HCOO]- 409.05650 195.2
[M+CH3COO]- 423.07215 191.1
[M+Na-2H]- 385.03297 178.7
[M]+ 364.05775 183.6
[M]- 364.05885 183.6
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.