CID 65598917

3-cyclopropyl-1-(2-fluorophenyl)propan-1-one

Structural Information

Molecular Formula
C12H13FO
SMILES
C1CC1CCC(=O)C2=CC=CC=C2F
InChI
InChI=1S/C12H13FO/c13-11-4-2-1-3-10(11)12(14)8-7-9-5-6-9/h1-4,9H,5-8H2
InChIKey
XFPOEDYVEBWEHK-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-(2-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09505 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10233 137.3
[M+Na]+ 215.08427 146.2
[M-H]- 191.08777 143.5
[M+NH4]+ 210.12887 152.0
[M+K]+ 231.05821 142.8
[M+H-H2O]+ 175.09231 129.7
[M+HCOO]- 237.09325 159.9
[M+CH3COO]- 251.10890 187.9
[M+Na-2H]- 213.06972 142.2
[M]+ 192.09450 138.7
[M]- 192.09560 138.7
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.