CID 277231

7397-23-1

Structural Information

Molecular Formula
C16H11FO3
SMILES
C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H11FO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10H2
InChIKey
HDSDUHZGXYSYKW-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7
Patents

270.0692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.07648 158.7
[M+Na]+ 293.05842 167.3
[M-H]- 269.06192 166.5
[M+NH4]+ 288.10302 175.0
[M+K]+ 309.03236 165.0
[M+H-H2O]+ 253.06646 151.4
[M+HCOO]- 315.06740 178.7
[M+CH3COO]- 329.08305 171.5
[M+Na-2H]- 291.04387 163.3
[M]+ 270.06865 159.8
[M]- 270.06975 159.8
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

patents stripe