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]+ 179.086666 131.3
[M+Na]+ 201.068608 139.6
[M-H]- 177.072114 137.3
[M+NH4]+ 196.113213 145.6
[M+K]+ 217.042548 139.8
[M+H-H2O]+ 161.076650 120.0
[M+HCOO]- 223.077591 153.0
[M+CH3COO]- 237.093241 186.1
[M+Na-2H]- 199.054056 135.8
[M]+ 178.07884142 138.6
[M]- 178.07993858 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.