CID 138040452

2247104-41-0

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]+ 155.06783 123.1
[M+Na]+ 177.04977 133.1
[M-H]- 153.05327 125.2
[M+NH4]+ 172.09437 140.1
[M+K]+ 193.02371 133.8
[M+H-H2O]+ 137.05781 116.4
[M+HCOO]- 199.05875 140.7
[M+CH3COO]- 213.07440 179.4
[M+Na-2H]- 175.03522 131.0
[M]+ 154.06000 123.3
[M]- 154.06110 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.