CID 24701416

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

Structural Information

Molecular Formula
C5H7F3O3
SMILES
C(COCC(F)(F)F)C(=O)O
InChI
InChI=1S/C5H7F3O3/c6-5(7,8)3-11-2-1-4(9)10/h1-3H2,(H,9,10)
InChIKey
BLTBOTISMYWTBX-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

172.03473 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04201 129.6
[M+Na]+ 195.02395 137.4
[M-H]- 171.02745 124.8
[M+NH4]+ 190.06855 149.2
[M+K]+ 210.99789 136.9
[M+H-H2O]+ 155.03199 123.1
[M+HCOO]- 217.03293 147.5
[M+CH3COO]- 231.04858 175.3
[M+Na-2H]- 193.00940 134.5
[M]+ 172.03418 127.3
[M]- 172.03528 127.3
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

patents stripe