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]+ 234.076076 148.9
[M+Na]+ 256.058018 158.8
[M-H]- 232.061524 155.2
[M+NH4]+ 251.102623 168.1
[M+K]+ 272.031958 153.0
[M+H-H2O]+ 216.066060 147.9
[M+HCOO]- 278.067001 175.2
[M+CH3COO]- 292.082651 184.9
[M+Na-2H]- 254.043466 157.3
[M]+ 233.06825142 153.4
[M]- 233.06934858 153.4
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.