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]+ 169.047086 128.5
[M+Na]+ 191.029028 136.7
[M-H]- 167.032534 129.0
[M+NH4]+ 186.073633 144.7
[M+K]+ 207.002968 138.8
[M+H-H2O]+ 151.037070 118.4
[M+HCOO]- 213.038011 146.6
[M+CH3COO]- 227.053661 180.3
[M+Na-2H]- 189.014476 134.8
[M]+ 168.03926142 134.2
[M]- 168.04035858 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.