CID 23233498

2-ethyl-2-(trifluoromethyl)oxirane

Structural Information

Molecular Formula
C5H7F3O
SMILES
CCC1(CO1)C(F)(F)F
InChI
InChI=1S/C5H7F3O/c1-2-4(3-9-4)5(6,7)8/h2-3H2,1H3
InChIKey
ZNNHSXCRXJEJJH-UHFFFAOYSA-N
Compound name
2-ethyl-2-(trifluoromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.0449 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05218 119.5
[M+Na]+ 163.03412 130.1
[M-H]- 139.03762 121.7
[M+NH4]+ 158.07872 137.1
[M+K]+ 179.00806 130.7
[M+H-H2O]+ 123.04216 112.8
[M+HCOO]- 185.04310 138.3
[M+CH3COO]- 199.05875 175.7
[M+Na-2H]- 161.01957 129.0
[M]+ 140.04435 119.9
[M]- 140.04545 119.9
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.