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

literature stripe

Patent stripe

patents stripe