CID 71592251

7,9-dimethoxy-5-nitro-benzo[h]chromen-2-one

Structural Information

Molecular Formula
C15H11NO6
SMILES
COC1=CC2=C3C(=C(C=C2C(=C1)OC)[N+](=O)[O-])C=CC(=O)O3
InChI
InChI=1S/C15H11NO6/c1-20-8-5-11-10(13(6-8)21-2)7-12(16(18)19)9-3-4-14(17)22-15(9)11/h3-7H,1-2H3
InChIKey
JCSOGKXUTVKYKX-UHFFFAOYSA-N
Compound name
7,9-dimethoxy-5-nitrobenzo[h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.05862 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06590 161.6
[M+Na]+ 324.04784 172.3
[M-H]- 300.05134 169.2
[M+NH4]+ 319.09244 176.9
[M+K]+ 340.02178 166.9
[M+H-H2O]+ 284.05588 158.3
[M+HCOO]- 346.05682 185.8
[M+CH3COO]- 360.07247 199.7
[M+Na-2H]- 322.03329 172.6
[M]+ 301.05807 168.7
[M]- 301.05917 168.7
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.