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]+ 197.09723 140.7
[M+Na]+ 219.07917 148.2
[M-H]- 195.08267 143.0
[M+NH4]+ 214.12377 160.2
[M+K]+ 235.05311 146.4
[M+H-H2O]+ 179.08721 133.9
[M+HCOO]- 241.08815 163.3
[M+CH3COO]- 255.10380 185.2
[M+Na-2H]- 217.06462 145.4
[M]+ 196.08940 142.2
[M]- 196.09050 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.