CID 6434730

Acrylophenone, 2'-fluoro-3-(5-nitro-2-furyl)-

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]+ 262.051006 155.4
[M+Na]+ 284.032948 162.9
[M-H]- 260.036454 162.0
[M+NH4]+ 279.077553 171.4
[M+K]+ 300.006888 156.6
[M+H-H2O]+ 244.040990 152.5
[M+HCOO]- 306.041931 179.8
[M+CH3COO]- 320.057581 187.7
[M+Na-2H]- 282.018396 160.5
[M]+ 261.04318142 154.7
[M]- 261.04427858 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.