CID 59045

101833-13-0

Structural Information

Molecular Formula
C12H8F6O3
SMILES
C1C(=O)C(OC1(C(F)(F)F)C(F)(F)F)(C2=CC=CC=C2)O
InChI
InChI=1S/C12H8F6O3/c13-11(14,15)9(12(16,17)18)6-8(19)10(20,21-9)7-4-2-1-3-5-7/h1-5,20H,6H2
InChIKey
FHSDRLZCOMDRLL-UHFFFAOYSA-N
Compound name
2-hydroxy-2-phenyl-5,5-bis(trifluoromethyl)oxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.03775 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04503 158.5
[M+Na]+ 337.02697 168.9
[M-H]- 313.03047 157.7
[M+NH4]+ 332.07157 176.8
[M+K]+ 353.00091 166.1
[M+H-H2O]+ 297.03501 150.2
[M+HCOO]- 359.03595 170.4
[M+CH3COO]- 373.05160 197.3
[M+Na-2H]- 335.01242 163.7
[M]+ 314.03720 150.5
[M]- 314.03830 150.5
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.