CID 11116223

1-(4-fluorophenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C9H7FO
SMILES
C=CC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H7FO/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6H,1H2
InChIKey
HDQOQFCURUKAJI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

150.0481 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05538 126.2
[M+Na]+ 173.03732 135.0
[M-H]- 149.04082 129.0
[M+NH4]+ 168.08192 147.6
[M+K]+ 189.01126 132.5
[M+H-H2O]+ 133.04536 120.2
[M+HCOO]- 195.04630 149.4
[M+CH3COO]- 209.06195 176.3
[M+Na-2H]- 171.02277 132.1
[M]+ 150.04755 124.8
[M]- 150.04865 124.8
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

No patent data available for this compound.