CID 136227

383-70-0

Structural Information

Molecular Formula

C₄H₄F₃NO₃

SMILES

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

InChI

InChI=1S/C4H4F3NO3/c5-4(6,7)3(11)8-1-2(9)10/h1H2,(H,8,11)(H,9,10)

InChIKey

IFAXXCBMQJNCCF-UHFFFAOYSA-N

Compound name

2-[(2,2,2-trifluoroacetyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 272
Patents: 171.01433 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]+	172.02161	127.5
[M+Na]+	194.00355	134.9
[M-H]-	170.00705	122.8
[M+NH4]+	189.04815	146.6
[M+K]+	209.97749	134.5
[M+H-H2O]+	154.01159	120.7
[M+HCOO]-	216.01253	145.8
[M+CH3COO]-	230.02818	176.4
[M+Na-2H]-	191.98900	131.8
[M]+	171.01378	122.4
[M]-	171.01488	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe