CID 59043

101833-11-8

Structural Information

Molecular Formula
C7H6F6O3
SMILES
CC1(C(=O)CC(O1)(C(F)(F)F)C(F)(F)F)O
InChI
InChI=1S/C7H6F6O3/c1-4(15)3(14)2-5(16-4,6(8,9)10)7(11,12)13/h15H,2H2,1H3
InChIKey
MWYNNQGRHMWJIV-UHFFFAOYSA-N
Compound name
2-hydroxy-2-methyl-5,5-bis(trifluoromethyl)oxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02211 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02939 139.3
[M+Na]+ 275.01133 150.1
[M-H]- 251.01483 135.5
[M+NH4]+ 270.05593 160.3
[M+K]+ 290.98527 149.1
[M+H-H2O]+ 235.01937 133.3
[M+HCOO]- 297.02031 151.3
[M+CH3COO]- 311.03596 186.9
[M+Na-2H]- 272.99678 145.4
[M]+ 252.02156 131.5
[M]- 252.02266 131.5
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.