CID 6434111

4'-methyl-3-(5-nitro-2-furyl)acrylophenone

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]+ 258.07610 157.9
[M+Na]+ 280.05804 164.9
[M-H]- 256.06154 165.7
[M+NH4]+ 275.10264 174.1
[M+K]+ 296.03198 158.8
[M+H-H2O]+ 240.06608 155.7
[M+HCOO]- 302.06702 182.9
[M+CH3COO]- 316.08267 188.0
[M+Na-2H]- 278.04349 162.9
[M]+ 257.06827 158.5
[M]- 257.06937 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.