CID 2725043

3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propionic acid

Structural Information

Molecular Formula

C₄H₂F₆O₃

SMILES

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

InChI

InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12)

InChIKey

CMQUGOHGJUTDGZ-UHFFFAOYSA-N

Compound name

3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 864
Patents: 211.99081 Da
Monoisotopic Mass: 1.2
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]+	212.99809	131.7
[M+Na]+	234.98003	140.5
[M-H]-	210.98353	122.4
[M+NH4]+	230.02463	148.7
[M+K]+	250.95397	139.1
[M+H-H2O]+	194.98807	124.0
[M+HCOO]-	256.98901	142.0
[M+CH3COO]-	271.00466	178.9
[M+Na-2H]-	232.96548	136.8
[M]+	211.99026	121.7
[M]-	211.99136	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe