CID 2782635

407-12-5

Structural Information

Molecular Formula
C4H5F3O
SMILES
C1C(O1)CC(F)(F)F
InChI
InChI=1S/C4H5F3O/c5-4(6,7)1-3-2-8-3/h3H,1-2H2
InChIKey
KSAGWVJHDZAMEZ-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

126.02925 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03653 115.0
[M+Na]+ 149.01847 125.4
[M-H]- 125.02197 117.0
[M+NH4]+ 144.06307 131.2
[M+K]+ 164.99241 125.3
[M+H-H2O]+ 109.02651 107.2
[M+HCOO]- 171.02745 134.5
[M+CH3COO]- 185.04310 173.3
[M+Na-2H]- 147.00392 124.0
[M]+ 126.02870 114.7
[M]- 126.02980 114.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe