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 142.4
[M+Na]+ 253.04469 150.2
[M-H]- 229.04819 145.5
[M+NH4]+ 248.08929 154.2
[M+K]+ 269.01863 150.4
[M+H-H2O]+ 213.05273 129.1
[M+HCOO]- 275.05367 160.6
[M+CH3COO]- 289.06932 192.0
[M+Na-2H]- 251.03014 146.8
[M]+ 230.05492 147.7
[M]- 230.05602 147.7
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

patents stripe