CID 39872368

2-(trifluoromethoxy)acetic acid

Structural Information

Molecular Formula

C₃H₃F₃O₃

SMILES

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

InChI

InChI=1S/C3H3F3O3/c4-3(5,6)9-1-2(7)8/h1H2,(H,7,8)

InChIKey

CZXZCEUXKFLRHN-UHFFFAOYSA-N

Compound name

2-(trifluoromethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 195
Patents: 144.00343 Da
Monoisotopic Mass: 0.9
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	120.1
[M+Na]+	166.99265	128.7
[M-H]-	142.99615	115.6
[M+NH4]+	162.03725	140.8
[M+K]+	182.96659	128.8
[M+H-H2O]+	127.00069	113.9
[M+HCOO]-	189.00163	138.6
[M+CH3COO]-	203.01728	169.2
[M+Na-2H]-	164.97810	126.0
[M]+	144.00288	117.0
[M]-	144.00398	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe