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 178.9
[M+Na]+ 378.05842 186.6
[M-H]- 354.06192 188.4
[M+NH4]+ 373.10302 192.0
[M+K]+ 394.03236 181.8
[M+H-H2O]+ 338.06646 175.8
[M+HCOO]- 400.06740 202.9
[M+CH3COO]- 414.08305 206.7
[M+Na-2H]- 376.04387 184.0
[M]+ 355.06865 185.1
[M]- 355.06975 185.1
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.