CID 54332550

3-(4-fluorophenyl)-3-methylcyclobutan-1-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.07939 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08667 133.0
[M+Na]+ 201.06861 141.3
[M-H]- 177.07211 139.1
[M+NH4]+ 196.11321 149.0
[M+K]+ 217.04255 141.6
[M+H-H2O]+ 161.07665 122.5
[M+HCOO]- 223.07759 154.7
[M+CH3COO]- 237.09324 184.5
[M+Na-2H]- 199.05406 139.1
[M]+ 178.07884 140.2
[M]- 178.07994 140.2
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

patents stripe