CID 80134096

3-(4-fluoro-2-methylphenyl)cyclobutan-1-one

Structural Information

Molecular Formula
C11H11FO
SMILES
CC1=C(C=CC(=C1)F)C2CC(=O)C2
InChI
InChI=1S/C11H11FO/c1-7-4-9(12)2-3-11(7)8-5-10(13)6-8/h2-4,8H,5-6H2,1H3
InChIKey
NSFONMLBADDUCC-UHFFFAOYSA-N
Compound name
3-(4-fluoro-2-methylphenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07939 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08667 131.3
[M+Na]+ 201.06861 139.6
[M-H]- 177.07211 137.3
[M+NH4]+ 196.11321 145.6
[M+K]+ 217.04255 139.8
[M+H-H2O]+ 161.07665 120.0
[M+HCOO]- 223.07759 153.0
[M+CH3COO]- 237.09324 186.1
[M+Na-2H]- 199.05406 135.8
[M]+ 178.07884 138.6
[M]- 178.07994 138.6
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

No patent data available for this compound.