CID 5777247

853347-75-8

Structural Information

Molecular Formula
C15H10N2O5
SMILES
COC(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])/C#N
InChI
InChI=1S/C15H10N2O5/c1-21-15(18)11(9-16)8-13-5-6-14(22-13)10-3-2-4-12(7-10)17(19)20/h2-8H,1H3/b11-8+
InChIKey
ADCUXMCNVVBVDC-DHZHZOJOSA-N
Compound name
methyl (E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.05896 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06624 175.8
[M+Na]+ 321.04818 184.0
[M-H]- 297.05168 181.5
[M+NH4]+ 316.09278 188.2
[M+K]+ 337.02212 177.2
[M+H-H2O]+ 281.05622 165.6
[M+HCOO]- 343.05716 195.4
[M+CH3COO]- 357.07281 205.3
[M+Na-2H]- 319.03363 178.0
[M]+ 298.05841 171.5
[M]- 298.05951 171.5
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.