CID 6434729

Brn 1583000

Structural Information

Molecular Formula
C13H8FNO4
SMILES
C1=CC(=CC=C1C(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-])F
InChI
InChI=1S/C13H8FNO4/c14-10-3-1-9(2-4-10)12(16)7-5-11-6-8-13(19-11)15(17)18/h1-8H/b7-5-
InChIKey
VLKWFGFLBLHMCO-ALCCZGGFSA-N
Compound name
(Z)-1-(4-fluorophenyl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04373 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05101 154.2
[M+Na]+ 284.03295 166.6
[M+NH4]+ 279.07755 160.7
[M+K]+ 300.00689 165.4
[M-H]- 260.03645 157.8
[M+Na-2H]- 282.01840 159.8
[M]+ 261.04318 156.7
[M]- 261.04428 156.7
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.