CID 6445614

37733-64-5

Structural Information

Molecular Formula
C12H11NO4
SMILES
CC1=C(OC2=C1C=CC(=C2)OC)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C12H11NO4/c1-8-10-4-3-9(16-2)7-12(10)17-11(8)5-6-13(14)15/h3-7H,1-2H3/b6-5+
InChIKey
VWACKKSWDPLSHA-AATRIKPKSA-N
Compound name
6-methoxy-3-methyl-2-[(E)-2-nitroethenyl]-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0688 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07608 147.4
[M+Na]+ 256.05802 161.7
[M+NH4]+ 251.10262 155.4
[M+K]+ 272.03196 159.8
[M-H]- 232.06152 151.7
[M+Na-2H]- 254.04347 152.4
[M]+ 233.06825 150.6
[M]- 233.06935 150.6
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

No patent data available for this compound.