CID 6445608

Benzofuran, 6,7-dimethoxy-3-methyl-2-(2-nitroethenyl)-

Structural Information

Molecular Formula
C13H13NO5
SMILES
CC1=C(OC2=C1C=CC(=C2OC)OC)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C13H13NO5/c1-8-9-4-5-11(17-2)13(18-3)12(9)19-10(8)6-7-14(15)16/h4-7H,1-3H3/b7-6+
InChIKey
DCZHTVCQWUAXFZ-VOTSOKGWSA-N
Compound name
6,7-dimethoxy-3-methyl-2-[(E)-2-nitroethenyl]-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.07938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.086656 156.4
[M+Na]+ 286.068598 166.5
[M-H]- 262.072104 162.9
[M+NH4]+ 281.113203 174.6
[M+K]+ 302.042538 161.1
[M+H-H2O]+ 246.076640 155.3
[M+HCOO]- 308.077581 182.5
[M+CH3COO]- 322.093231 191.2
[M+Na-2H]- 284.054046 163.9
[M]+ 263.07883142 163.0
[M]- 263.07992858 163.0
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.