CID 20228002

1-(3-fluoro-4-methoxyphenyl)propan-2-one

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC(=O)CC1=CC(=C(C=C1)OC)F
InChI
InChI=1S/C10H11FO2/c1-7(12)5-8-3-4-10(13-2)9(11)6-8/h3-4,6H,5H2,1-2H3
InChIKey
YSMYYXIMWVCARJ-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-methoxyphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

182.07431 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 135.0
[M+Na]+ 205.06353 143.9
[M-H]- 181.06703 137.9
[M+NH4]+ 200.10813 155.4
[M+K]+ 221.03747 142.4
[M+H-H2O]+ 165.07157 128.7
[M+HCOO]- 227.07251 157.9
[M+CH3COO]- 241.08816 183.3
[M+Na-2H]- 203.04898 139.6
[M]+ 182.07376 136.5
[M]- 182.07486 136.5
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

patents stripe