CID 12814700

4-(2-fluorophenyl)butan-2-one

Structural Information

Molecular Formula
C10H11FO
SMILES
CC(=O)CCC1=CC=CC=C1F
InChI
InChI=1S/C10H11FO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
InChIKey
GDRXVYJUCGIYLB-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

166.07939 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.086666 132.5
[M+Na]+ 189.068608 140.6
[M-H]- 165.072114 135.0
[M+NH4]+ 184.113213 153.3
[M+K]+ 205.042548 138.5
[M+H-H2O]+ 149.076650 126.2
[M+HCOO]- 211.077591 155.2
[M+CH3COO]- 225.093241 180.2
[M+Na-2H]- 187.054056 137.8
[M]+ 166.07884142 132.2
[M]- 166.07993858 132.2
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