CID 700014

308296-43-7

Structural Information

Molecular Formula
C18H15NO6
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C18H15NO6/c1-11-17(18(20)23-2)15-9-14(6-7-16(15)25-11)24-10-12-4-3-5-13(8-12)19(21)22/h3-9H,10H2,1-2H3
InChIKey
GKSWWENXWUCHKA-UHFFFAOYSA-N
Compound name
methyl 2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.08994 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09722 177.5
[M+Na]+ 364.07916 185.6
[M-H]- 340.08266 186.9
[M+NH4]+ 359.12376 191.5
[M+K]+ 380.05310 180.0
[M+H-H2O]+ 324.08720 174.3
[M+HCOO]- 386.08814 202.2
[M+CH3COO]- 400.10379 205.2
[M+Na-2H]- 362.06461 183.4
[M]+ 341.08939 183.8
[M]- 341.09049 183.8
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.