CID 50989299

1-(3-fluorophenyl)-4-methoxybutan-2-one

Structural Information

Molecular Formula
C11H13FO2
SMILES
COCCC(=O)CC1=CC(=CC=C1)F
InChI
InChI=1S/C11H13FO2/c1-14-6-5-11(13)8-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3
InChIKey
HXUOMIWYIWRVPC-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-4-methoxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.08995 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 140.7
[M+Na]+ 219.079168 148.2
[M-H]- 195.082674 143.0
[M+NH4]+ 214.123773 160.2
[M+K]+ 235.053108 146.4
[M+H-H2O]+ 179.087210 133.9
[M+HCOO]- 241.088151 163.3
[M+CH3COO]- 255.103801 185.2
[M+Na-2H]- 217.064616 145.4
[M]+ 196.08940142 142.2
[M]- 196.09049858 142.2
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.