CID 137935566

3-methoxy-3-(trifluoromethyl)cyclobutan-1-one

Structural Information

Molecular Formula
C6H7F3O2
SMILES
COC1(CC(=O)C1)C(F)(F)F
InChI
InChI=1S/C6H7F3O2/c1-11-5(6(7,8)9)2-4(10)3-5/h2-3H2,1H3
InChIKey
SVEMCAYFEKDMTP-UHFFFAOYSA-N
Compound name
3-methoxy-3-(trifluoromethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.03981 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04709 128.5
[M+Na]+ 191.02903 136.7
[M-H]- 167.03253 129.0
[M+NH4]+ 186.07363 144.7
[M+K]+ 207.00297 138.8
[M+H-H2O]+ 151.03707 118.4
[M+HCOO]- 213.03801 146.6
[M+CH3COO]- 227.05366 180.3
[M+Na-2H]- 189.01448 134.8
[M]+ 168.03926 134.2
[M]- 168.04036 134.2
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

No patent data available for this compound.