CID 43798811

1-(2-fluorophenyl)-2-(propan-2-yloxy)ethan-1-one

Structural Information

Molecular Formula
C11H13FO2
SMILES
CC(C)OCC(=O)C1=CC=CC=C1F
InChI
InChI=1S/C11H13FO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
InChIKey
LEFCTWSEJKCRMR-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-2-propan-2-yloxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.08995 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 140.8
[M+Na]+ 219.079168 148.1
[M-H]- 195.082674 143.1
[M+NH4]+ 214.123773 160.2
[M+K]+ 235.053108 146.7
[M+H-H2O]+ 179.087210 134.0
[M+HCOO]- 241.088151 162.3
[M+CH3COO]- 255.103801 186.1
[M+Na-2H]- 217.064616 144.2
[M]+ 196.08940142 141.6
[M]- 196.09049858 141.6
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