CID 20192534

3-[4-(trifluoromethoxy)phenyl]cyclobutan-1-one

Structural Information

Molecular Formula
C11H9F3O2
SMILES
C1C(CC1=O)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C11H9F3O2/c12-11(13,14)16-10-3-1-7(2-4-10)8-5-9(15)6-8/h1-4,8H,5-6H2
InChIKey
GDWWQWDUGSHEAT-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethoxy)phenyl]cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.05547 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06275 157.9
[M+Na]+ 253.04469 163.4
[M+NH4]+ 248.08929 160.1
[M+K]+ 269.01863 159.3
[M-H]- 229.04819 153.6
[M+Na-2H]- 251.03014 159.8
[M]+ 230.05492 156.2
[M]- 230.05602 156.2
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