CID 5463007

(3e)-4-(2-fluorophenyl)but-3-en-2-one

Structural Information

Molecular Formula
C10H9FO
SMILES
CC(=O)/C=C/C1=CC=CC=C1F
InChI
InChI=1S/C10H9FO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-7H,1H3/b7-6+
InChIKey
ZUZCIZDIGXGYDS-VOTSOKGWSA-N
Compound name
(E)-4-(2-fluorophenyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

164.06374 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07102 131.2
[M+Na]+ 187.05296 139.6
[M-H]- 163.05646 133.8
[M+NH4]+ 182.09756 152.1
[M+K]+ 203.02690 136.9
[M+H-H2O]+ 147.06100 125.0
[M+HCOO]- 209.06194 154.1
[M+CH3COO]- 223.07759 178.6
[M+Na-2H]- 185.03841 136.5
[M]+ 164.06319 130.1
[M]- 164.06429 130.1
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