CID 473483

3-methyl-2-nitroxanthen-9-one

Structural Information

Molecular Formula
C14H9NO4
SMILES
CC1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C14H9NO4/c1-8-6-13-10(7-11(8)15(17)18)14(16)9-4-2-3-5-12(9)19-13/h2-7H,1H3
InChIKey
QRWAGZGUFZRJKU-UHFFFAOYSA-N
Compound name
3-methyl-2-nitroxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.05316 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06044 150.3
[M+Na]+ 278.04238 161.1
[M-H]- 254.04588 157.8
[M+NH4]+ 273.08698 167.5
[M+K]+ 294.01632 154.5
[M+H-H2O]+ 238.05042 147.6
[M+HCOO]- 300.05136 174.6
[M+CH3COO]- 314.06701 191.0
[M+Na-2H]- 276.02783 162.1
[M]+ 255.05261 154.0
[M]- 255.05371 154.0
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.