CID 83681115

3-(trifluoromethyl)cyclobutan-1-one

Structural Information

Molecular Formula
C5H5F3O
SMILES
C1C(CC1=O)C(F)(F)F
InChI
InChI=1S/C5H5F3O/c6-5(7,8)3-1-4(9)2-3/h3H,1-2H2
InChIKey
GULIEOHEXPTMGR-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

138.02925 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03653 119.9
[M+Na]+ 161.01847 127.9
[M-H]- 137.02197 120.3
[M+NH4]+ 156.06307 135.4
[M+K]+ 176.99241 129.7
[M+H-H2O]+ 121.02651 108.8
[M+HCOO]- 183.02745 138.2
[M+CH3COO]- 197.04310 175.9
[M+Na-2H]- 159.00392 125.6
[M]+ 138.02870 123.6
[M]- 138.02980 123.6
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

patents stripe