CID 138040452

2-(propan-2-yl)-2-(trifluoromethyl)oxirane

Structural Information

Molecular Formula
C6H9F3O
SMILES
CC(C)C1(CO1)C(F)(F)F
InChI
InChI=1S/C6H9F3O/c1-4(2)5(3-10-5)6(7,8)9/h4H,3H2,1-2H3
InChIKey
NWRFICVUSQPYMX-UHFFFAOYSA-N
Compound name
2-propan-2-yl-2-(trifluoromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06055 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.067826 123.1
[M+Na]+ 177.049768 133.1
[M-H]- 153.053274 125.2
[M+NH4]+ 172.094373 140.1
[M+K]+ 193.023708 133.8
[M+H-H2O]+ 137.057810 116.4
[M+HCOO]- 199.058751 140.7
[M+CH3COO]- 213.074401 179.4
[M+Na-2H]- 175.035216 131.0
[M]+ 154.06000142 123.3
[M]- 154.06109858 123.3
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.