CID 6434111

Acrylophenone, 4'-methyl-3-(5-nitro-2-furyl)-

Structural Information

Molecular Formula
C14H11NO4
SMILES
CC1=CC=C(C=C1)C(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO4/c1-10-2-4-11(5-3-10)13(16)8-6-12-7-9-14(19-12)15(17)18/h2-9H,1H3/b8-6-
InChIKey
OLTKPDZDWMVIPP-VURMDHGXSA-N
Compound name
(Z)-1-(4-methylphenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.06882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.076096 157.9
[M+Na]+ 280.058038 164.9
[M-H]- 256.061544 165.7
[M+NH4]+ 275.102643 174.1
[M+K]+ 296.031978 158.8
[M+H-H2O]+ 240.066080 155.7
[M+HCOO]- 302.067021 182.9
[M+CH3COO]- 316.082671 188.0
[M+Na-2H]- 278.043486 162.9
[M]+ 257.06827142 158.5
[M]- 257.06936858 158.5
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.