CID 43128623

3-(2,2,3,3-tetrafluoropropoxy)propanoic acid

Structural Information

Molecular Formula
C6H8F4O3
SMILES
C(COCC(C(F)F)(F)F)C(=O)O
InChI
InChI=1S/C6H8F4O3/c7-5(8)6(9,10)3-13-2-1-4(11)12/h5H,1-3H2,(H,11,12)
InChIKey
ZGNWNOOHLITDJW-UHFFFAOYSA-N
Compound name
3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.04095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04823 136.6
[M+Na]+ 227.03017 143.7
[M-H]- 203.03367 130.2
[M+NH4]+ 222.07477 154.5
[M+K]+ 243.00411 142.9
[M+H-H2O]+ 187.03821 128.8
[M+HCOO]- 249.03915 152.0
[M+CH3COO]- 263.05480 182.7
[M+Na-2H]- 225.01562 139.1
[M]+ 204.04040 132.7
[M]- 204.04150 132.7
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.