CID 344398

7471-74-1

Structural Information

Molecular Formula
C12H8O7S
SMILES
COC1=C2C(=C(C3=C1OC(=O)C=C3)S(=O)(=O)O)C=CO2
InChI
InChI=1S/C12H8O7S/c1-17-11-9-7(4-5-18-9)12(20(14,15)16)6-2-3-8(13)19-10(6)11/h2-5H,1H3,(H,14,15,16)
InChIKey
BAVIZULIKJVHFO-UHFFFAOYSA-N
Compound name
9-methoxy-7-oxofuro[3,2-g]chromene-4-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.99908 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00636 156.5
[M+Na]+ 318.98830 169.9
[M-H]- 294.99180 164.2
[M+NH4]+ 314.03290 173.6
[M+K]+ 334.96224 169.5
[M+H-H2O]+ 278.99634 152.6
[M+HCOO]- 340.99728 174.2
[M+CH3COO]- 355.01293 195.1
[M+Na-2H]- 316.97375 165.4
[M]+ 295.99853 168.2
[M]- 295.99963 168.2
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.