CID 5796193

853349-20-9

Structural Information

Molecular Formula
C13H9ClN2O4
SMILES
C1=COC(=C1)/C=C/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H9ClN2O4/c14-11-8-9(16(18)19)3-5-12(11)15-13(17)6-4-10-2-1-7-20-10/h1-8H,(H,15,17)/b6-4+
InChIKey
CSQGTADKDKYJBO-GQCTYLIASA-N
Compound name
(E)-N-(2-chloro-4-nitrophenyl)-3-(furan-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0251 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.03238 166.1
[M+Na]+ 315.01432 172.9
[M-H]- 291.01782 173.5
[M+NH4]+ 310.05892 181.2
[M+K]+ 330.98826 165.3
[M+H-H2O]+ 275.02236 164.2
[M+HCOO]- 337.02330 187.7
[M+CH3COO]- 351.03895 192.9
[M+Na-2H]- 312.99977 171.3
[M]+ 292.02455 167.7
[M]- 292.02565 167.7
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.