CID 1345724

315237-73-1

Structural Information

Molecular Formula
C18H13NO7
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C18H13NO7/c1-10-16(18(21)24-2)14-9-13(6-7-15(14)25-10)26-17(20)11-4-3-5-12(8-11)19(22)23/h3-9H,1-2H3
InChIKey
DEBVCFPSYXNEMV-UHFFFAOYSA-N
Compound name
methyl 2-methyl-5-(3-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0692 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07648 176.3
[M+Na]+ 378.05842 190.3
[M+NH4]+ 373.10302 182.2
[M+K]+ 394.03236 190.1
[M-H]- 354.06192 181.3
[M+Na-2H]- 376.04387 181.6
[M]+ 355.06865 179.5
[M]- 355.06975 179.5
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.