CID 4738453

(2,2,2-trifluoroethoxy)acetic acid

Structural Information

Molecular Formula

C₄H₅F₃O₃

SMILES

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

InChI

InChI=1S/C4H5F3O3/c5-4(6,7)2-10-1-3(8)9/h1-2H2,(H,8,9)

InChIKey

ICSOIMDWVVEKBW-UHFFFAOYSA-N

Compound name

2-(2,2,2-trifluoroethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 158.01907 Da
Monoisotopic Mass: 0.8
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	134.3
[M+Na]+	181.00829	140.4
[M+NH4]+	176.05289	138.4
[M+K]+	196.98223	137.7
[M-H]-	157.01179	127.4
[M+Na-2H]-	178.99374	134.7
[M]+	158.01852	132.6
[M]-	158.01962	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe