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

27
Patents

158.01907 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02635 124.9
[M+Na]+ 181.00829 133.1
[M-H]- 157.01179 120.2
[M+NH4]+ 176.05289 145.0
[M+K]+ 196.98223 132.8
[M+H-H2O]+ 141.01633 118.5
[M+HCOO]- 203.01727 143.0
[M+CH3COO]- 217.03292 172.2
[M+Na-2H]- 178.99374 130.3
[M]+ 158.01852 122.1
[M]- 158.01962 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