CID 264120

7-methyl-6-nitro-2h-chromen-2-one

Structural Information

Molecular Formula
C10H7NO4
SMILES
CC1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]
InChI
InChI=1S/C10H7NO4/c1-6-4-9-7(2-3-10(12)15-9)5-8(6)11(13)14/h2-5H,1H3
InChIKey
PXIZISQDNJKAOB-UHFFFAOYSA-N
Compound name
7-methyl-6-nitrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

205.0375 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.044776 137.0
[M+Na]+ 228.026718 146.9
[M-H]- 204.030224 143.4
[M+NH4]+ 223.071323 155.4
[M+K]+ 244.000658 141.8
[M+H-H2O]+ 188.034760 135.6
[M+HCOO]- 250.035701 161.9
[M+CH3COO]- 264.051351 180.0
[M+Na-2H]- 226.012166 147.9
[M]+ 205.03695142 139.0
[M]- 205.03804858 139.0
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