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]+ 197.09723 140.8
[M+Na]+ 219.07917 148.1
[M-H]- 195.08267 143.1
[M+NH4]+ 214.12377 160.2
[M+K]+ 235.05311 146.7
[M+H-H2O]+ 179.08721 134.0
[M+HCOO]- 241.08815 162.3
[M+CH3COO]- 255.10380 186.1
[M+Na-2H]- 217.06462 144.2
[M]+ 196.08940 141.6
[M]- 196.09050 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