CID 63282309

3-(trifluoromethoxy)propanoic acid

Structural Information

Molecular Formula
C4H5F3O3
SMILES
C(COC(F)(F)F)C(=O)O
InChI
InChI=1S/C4H5F3O3/c5-4(6,7)10-2-1-3(8)9/h1-2H2,(H,8,9)
InChIKey
HZYSVGCHQALZGI-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

158.01907 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.026346 124.9
[M+Na]+ 181.008288 133.1
[M-H]- 157.011794 120.2
[M+NH4]+ 176.052893 145.0
[M+K]+ 196.982228 132.8
[M+H-H2O]+ 141.016330 118.5
[M+HCOO]- 203.017271 143.0
[M+CH3COO]- 217.032921 172.2
[M+Na-2H]- 178.993736 130.3
[M]+ 158.01852142 122.1
[M]- 158.01961858 122.1
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

patents stripe