CID 13704003

4361-93-7

Structural Information

Molecular Formula
C10H6O4
SMILES
C1OC2=C(O1)C3=C(C=C2)C=CC(=O)O3
InChI
InChI=1S/C10H6O4/c11-8-4-2-6-1-3-7-10(9(6)14-8)13-5-12-7/h1-4H,5H2
InChIKey
OZRUEXJYRHKIJC-UHFFFAOYSA-N
Compound name
[1,3]dioxolo[4,5-h]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

190.02661 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03389 131.2
[M+Na]+ 213.01583 142.4
[M-H]- 189.01933 139.6
[M+NH4]+ 208.06043 151.1
[M+K]+ 228.98977 143.5
[M+H-H2O]+ 173.02387 126.8
[M+HCOO]- 235.02481 152.8
[M+CH3COO]- 249.04046 147.0
[M+Na-2H]- 211.00128 142.5
[M]+ 190.02606 136.2
[M]- 190.02716 136.2
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