CID 294152

102129-07-7

Structural Information

Molecular Formula
C11H8F6O5
SMILES
CC1=CC(=O)C(C(=O)O1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C11H8F6O5/c1-4-2-5(18)7(8(20)22-4)6(19)3-9(21,10(12,13)14)11(15,16)17/h2,7,21H,3H2,1H3
InChIKey
AUWNJELNHVOCFY-UHFFFAOYSA-N
Compound name
6-methyl-3-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl]pyran-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0276 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03488 161.2
[M+Na]+ 357.01682 170.0
[M-H]- 333.02032 156.9
[M+NH4]+ 352.06142 173.0
[M+K]+ 372.99076 168.7
[M+H-H2O]+ 317.02486 152.0
[M+HCOO]- 379.02580 169.4
[M+CH3COO]- 393.04145 204.8
[M+Na-2H]- 355.00227 164.0
[M]+ 334.02705 154.0
[M]- 334.02815 154.0
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.