CID 5893052

R 5208

Structural Information

Molecular Formula
C13H13NO4
SMILES
CC1=C(OC2=C1C=C(C(=C2)OC)/C=C/[N+](=O)[O-])C
InChI
InChI=1S/C13H13NO4/c1-8-9(2)18-13-7-12(17-3)10(6-11(8)13)4-5-14(15)16/h4-7H,1-3H3/b5-4+
InChIKey
YUJGTLDNFVUXKB-SNAWJCMRSA-N
Compound name
6-methoxy-2,3-dimethyl-5-[(E)-2-nitroethenyl]-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 151.9
[M+Na]+ 270.07368 166.4
[M+NH4]+ 265.11828 159.8
[M+K]+ 286.04762 164.5
[M-H]- 246.07718 156.3
[M+Na-2H]- 268.05913 156.5
[M]+ 247.08391 155.2
[M]- 247.08501 155.2
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.