CID 260948

Methyl 3-nitro-1-naphthoate

Structural Information

Molecular Formula
C12H9NO4
SMILES
COC(=O)C1=CC(=CC2=CC=CC=C21)[N+](=O)[O-]
InChI
InChI=1S/C12H9NO4/c1-17-12(14)11-7-9(13(15)16)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChIKey
QFUDSCNJHFVWIB-UHFFFAOYSA-N
Compound name
methyl 3-nitronaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

231.05316 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06044 145.7
[M+Na]+ 254.04238 160.0
[M+NH4]+ 249.08698 154.0
[M+K]+ 270.01632 156.4
[M-H]- 230.04588 149.3
[M+Na-2H]- 252.02783 152.3
[M]+ 231.05261 148.6
[M]- 231.05371 148.6
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

patents stripe