CID 6434730

Brn 1585282

Structural Information

Molecular Formula
C13H8FNO4
SMILES
C1=CC=C(C(=C1)C(=O)/C=C\C2=CC=C(O2)[N+](=O)[O-])F
InChI
InChI=1S/C13H8FNO4/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
NVCOQRBCPAMKQE-ALCCZGGFSA-N
Compound name
(Z)-1-(2-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05101 155.4
[M+Na]+ 284.03295 162.9
[M-H]- 260.03645 162.0
[M+NH4]+ 279.07755 171.4
[M+K]+ 300.00689 156.6
[M+H-H2O]+ 244.04099 152.5
[M+HCOO]- 306.04193 179.8
[M+CH3COO]- 320.05758 187.7
[M+Na-2H]- 282.01840 160.5
[M]+ 261.04318 154.7
[M]- 261.04428 154.7
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.