CID 344399

7471-75-2

Structural Information

Molecular Formula
C12H9ClO4
SMILES
COC1=C2C(=C(C3=C1OC(=O)C=C3)Cl)CCO2
InChI
InChI=1S/C12H9ClO4/c1-15-12-10-7(4-5-16-10)9(13)6-2-3-8(14)17-11(6)12/h2-3H,4-5H2,1H3
InChIKey
MCYRRAOHRJTPAN-UHFFFAOYSA-N
Compound name
4-chloro-9-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01894 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02622 148.8
[M+Na]+ 275.00816 161.4
[M-H]- 251.01166 156.6
[M+NH4]+ 270.05276 168.8
[M+K]+ 290.98210 159.4
[M+H-H2O]+ 235.01620 144.6
[M+HCOO]- 297.01714 165.8
[M+CH3COO]- 311.03279 163.6
[M+Na-2H]- 272.99361 156.3
[M]+ 252.01839 156.6
[M]- 252.01949 156.7
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.