CID 240049

Nsc45922

Structural Information

Molecular Formula
C12H8Cl2O4
SMILES
COC1=C2C(=CC3=C1OC(C3Cl)Cl)C=CC(=O)O2
InChI
InChI=1S/C12H8Cl2O4/c1-16-11-9-5(2-3-7(15)17-9)4-6-8(13)12(14)18-10(6)11/h2-4,8,12H,1H3
InChIKey
XCBPACKOKJGRGO-UHFFFAOYSA-N
Compound name
2,3-dichloro-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

285.97995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.98723 156.3
[M+Na]+ 308.96917 170.0
[M-H]- 284.97267 163.6
[M+NH4]+ 304.01377 175.6
[M+K]+ 324.94311 166.9
[M+H-H2O]+ 268.97721 152.9
[M+HCOO]- 330.97815 168.1
[M+CH3COO]- 344.99380 170.6
[M+Na-2H]- 306.95462 162.2
[M]+ 285.97940 165.7
[M]- 285.98050 165.7
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.