CID 95976

1930-56-9

Structural Information

Molecular Formula
C12H7NO6
SMILES
COC1=C2C(=C(C3=C1OC=C3)[N+](=O)[O-])C=CC(=O)O2
InChI
InChI=1S/C12H7NO6/c1-17-12-10-7(4-5-18-10)9(13(15)16)6-2-3-8(14)19-11(6)12/h2-5H,1H3
InChIKey
CFMUZTVJQKVMAZ-UHFFFAOYSA-N
Compound name
9-methoxy-4-nitrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

122
Patents

261.02734 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03462 149.3
[M+Na]+ 284.01656 160.7
[M-H]- 260.02006 157.9
[M+NH4]+ 279.06116 166.8
[M+K]+ 299.99050 156.5
[M+H-H2O]+ 244.02460 148.2
[M+HCOO]- 306.02554 174.6
[M+CH3COO]- 320.04119 189.5
[M+Na-2H]- 282.00201 161.1
[M]+ 261.02679 156.5
[M]- 261.02789 156.5
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.