CID 64904863

2-cyclopropyl-1-(2-fluorophenyl)ethan-1-one

Structural Information

Molecular Formula
C11H11FO
SMILES
C1CC1CC(=O)C2=CC=CC=C2F
InChI
InChI=1S/C11H11FO/c12-10-4-2-1-3-9(10)11(13)7-8-5-6-8/h1-4,8H,5-7H2
InChIKey
SEHRZRHVXLAWQM-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1-(2-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07939 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08667 132.9
[M+Na]+ 201.06861 142.3
[M-H]- 177.07211 139.4
[M+NH4]+ 196.11321 148.2
[M+K]+ 217.04255 139.2
[M+H-H2O]+ 161.07665 125.5
[M+HCOO]- 223.07759 155.8
[M+CH3COO]- 237.09324 185.0
[M+Na-2H]- 199.05406 138.4
[M]+ 178.07884 134.0
[M]- 178.07994 134.0
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.