CID 2760712

44864-47-3

Structural Information

Molecular Formula

C₄H₅F₃O₃

SMILES

C[C@@](C(=O)O)(C(F)(F)F)O

InChI

InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m1/s1

InChIKey

CTGJACFEVDCYMC-GSVOUGTGSA-N

Compound name

(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 969
Patents: 158.01907 Da
Monoisotopic Mass: 0.5
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]+	159.02635	124.7
[M+Na]+	181.00829	133.0
[M-H]-	157.01179	119.0
[M+NH4]+	176.05289	144.2
[M+K]+	196.98223	132.3
[M+H-H2O]+	141.01633	119.3
[M+HCOO]-	203.01727	139.8
[M+CH3COO]-	217.03292	170.1
[M+Na-2H]-	178.99374	130.5
[M]+	158.01852	119.5
[M]-	158.01962	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe