CID 71427991

2,3,4,4,4-pentafluoro-3-(trifluoromethyl)butanoic acid

Structural Information

Molecular Formula
C5H2F8O2
SMILES
C(C(=O)O)(C(C(F)(F)F)(C(F)(F)F)F)F
InChI
InChI=1S/C5H2F8O2/c6-1(2(14)15)3(7,4(8,9)10)5(11,12)13/h1H,(H,14,15)
InChIKey
JLRPXCDIADORQL-UHFFFAOYSA-N
Compound name
2,3,4,4,4-pentafluoro-3-(trifluoromethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

245.9927 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99998 138.0
[M+Na]+ 268.98192 146.8
[M-H]- 244.98542 127.5
[M+NH4]+ 264.02652 154.1
[M+K]+ 284.95586 145.2
[M+H-H2O]+ 228.98996 128.4
[M+HCOO]- 290.99090 146.2
[M+CH3COO]- 305.00655 189.4
[M+Na-2H]- 266.96737 140.6
[M]+ 245.99215 125.3
[M]- 245.99325 125.3
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.