CID 5376327

7-hydroxy-4-methyl-8-nitrocoumarin

Structural Information

Molecular Formula
C10H7NO5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2[N+](=O)[O-])O
InChI
InChI=1S/C10H7NO5/c1-5-4-8(13)16-10-6(5)2-3-7(12)9(10)11(14)15/h2-4,12H,1H3
InChIKey
BGUBUSIGKOWDPO-UHFFFAOYSA-N
Compound name
7-hydroxy-4-methyl-8-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

60
Patents

221.03242 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

patents stripe