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

66
Patents

150.0481 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.055376 126.2
[M+Na]+ 173.037318 135.0
[M-H]- 149.040824 129.0
[M+NH4]+ 168.081923 147.6
[M+K]+ 189.011258 132.5
[M+H-H2O]+ 133.045360 120.2
[M+HCOO]- 195.046301 149.4
[M+CH3COO]- 209.061951 176.3
[M+Na-2H]- 171.022766 132.1
[M]+ 150.04755142 124.8
[M]- 150.04864858 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

literature stripe

Patent stripe

patents stripe