CID 244896

3,3,3-trifluoro-2-hydroxypropanoic acid

Structural Information

Molecular Formula

C₃H₃F₃O₃

SMILES

C(C(=O)O)(C(F)(F)F)O

InChI

InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)

InChIKey

BVKGUTLIPHZYCX-UHFFFAOYSA-N

Compound name

3,3,3-trifluoro-2-hydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 762
Patents: 144.00343 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	145.01071	120.6
[M+Na]+	166.99265	128.6
[M-H]-	142.99615	114.8
[M+NH4]+	162.03725	140.5
[M+K]+	182.96659	128.2
[M+H-H2O]+	127.00069	114.7
[M+HCOO]-	189.00163	136.6
[M+CH3COO]-	203.01728	167.5
[M+Na-2H]-	164.97810	124.7
[M]+	144.00288	114.9
[M]-	144.00398	114.9

Literature stripe

literature stripe

Patent stripe

patents stripe