CID 5385113

19037-68-4

Structural Information

Molecular Formula
C10H7NO5
SMILES
CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])O
InChI
InChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12H,1H3
InChIKey
DPLGBPYLXGFDJY-UHFFFAOYSA-N
Compound name
7-hydroxy-4-methyl-6-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

221.03242 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03970 139.8
[M+Na]+ 244.02164 150.0
[M-H]- 220.02514 145.1
[M+NH4]+ 239.06624 157.0
[M+K]+ 259.99558 144.6
[M+H-H2O]+ 204.02968 138.6
[M+HCOO]- 266.03062 163.4
[M+CH3COO]- 280.04627 180.7
[M+Na-2H]- 242.00709 149.8
[M]+ 221.03187 141.8
[M]- 221.03297 141.8
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.