CID 24972052

5,6,6,6-tetrafluoro-4-oxo-5-(trifluoromethyl)hexanoic acid

Structural Information

Molecular Formula
C7H5F7O3
SMILES
C(CC(=O)O)C(=O)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H5F7O3/c8-5(6(9,10)11,7(12,13)14)3(15)1-2-4(16)17/h1-2H2,(H,16,17)
InChIKey
FOZCIODRBSSQFH-UHFFFAOYSA-N
Compound name
5,6,6,6-tetrafluoro-4-oxo-5-(trifluoromethyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.0127 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.01998 145.7
[M+Na]+ 293.00192 153.9
[M-H]- 269.00542 136.2
[M+NH4]+ 288.04652 160.9
[M+K]+ 308.97586 152.1
[M+H-H2O]+ 253.00996 136.6
[M+HCOO]- 315.01090 154.8
[M+CH3COO]- 329.02655 193.2
[M+Na-2H]- 290.98737 148.2
[M]+ 270.01215 136.0
[M]- 270.01325 136.0
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.