CID 6434728

2'-chloro-3-(5-nitro-2-furyl)acrylophenone

Structural Information

Molecular Formula
C13H8ClNO4
SMILES
C1=CC=C(C(=C1)C(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H8ClNO4/c14-11-4-2-1-3-10(11)12(16)7-5-9-6-8-13(19-9)15(17)18/h1-8H/b7-5-
InChIKey
XFXFHSCLIPSBKK-ALCCZGGFSA-N
Compound name
(Z)-1-(2-chlorophenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0142 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.02148 162.0
[M+Na]+ 300.00342 169.8
[M-H]- 276.00692 169.5
[M+NH4]+ 295.04802 178.1
[M+K]+ 315.97736 162.2
[M+H-H2O]+ 260.01146 160.7
[M+HCOO]- 322.01240 182.6
[M+CH3COO]- 336.02805 188.8
[M+Na-2H]- 297.98887 166.7
[M]+ 277.01365 164.4
[M]- 277.01475 164.4
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.