CID 15289941

1-cyclopropyl-2-(2-fluorophenyl)ethanone

Structural Information

Molecular Formula
C11H11FO
SMILES
C1CC1C(=O)CC2=CC=CC=C2F
InChI
InChI=1S/C11H11FO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2
InChIKey
DWBGTJUQWKWYGB-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2-(2-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

178.07939 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.086666 132.9
[M+Na]+ 201.068608 142.3
[M-H]- 177.072114 139.4
[M+NH4]+ 196.113213 148.2
[M+K]+ 217.042548 139.2
[M+H-H2O]+ 161.076650 125.5
[M+HCOO]- 223.077591 155.8
[M+CH3COO]- 237.093241 185.0
[M+Na-2H]- 199.054056 138.4
[M]+ 178.07884142 134.0
[M]- 178.07993858 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

literature stripe

Patent stripe

patents stripe