CID 130526683

4,4,5,5-tetrafluoropentanoic acid

Structural Information

Molecular Formula
C5H6F4O2
SMILES
C(CC(C(F)F)(F)F)C(=O)O
InChI
InChI=1S/C5H6F4O2/c6-4(7)5(8,9)2-1-3(10)11/h4H,1-2H2,(H,10,11)
InChIKey
CDQZHHIXHOETPG-UHFFFAOYSA-N
Compound name
4,4,5,5-tetrafluoropentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0304 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03768 129.0
[M+Na]+ 197.01962 136.6
[M-H]- 173.02312 122.9
[M+NH4]+ 192.06422 148.2
[M+K]+ 212.99356 135.6
[M+H-H2O]+ 157.02766 121.7
[M+HCOO]- 219.02860 144.5
[M+CH3COO]- 233.04425 177.7
[M+Na-2H]- 195.00507 132.0
[M]+ 174.02985 123.3
[M]- 174.03095 123.3
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.