CID 580910

367-62-4

Structural Information

Molecular Formula

C₆H₈F₃NO₃

SMILES

CCOC(=O)CNC(=O)C(F)(F)F

InChI

InChI=1S/C6H8F3NO3/c1-2-13-4(11)3-10-5(12)6(7,8)9/h2-3H2,1H3,(H,10,12)

InChIKey

OKCDXJWEZHVZJP-UHFFFAOYSA-N

Compound name

ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 199.04562 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]+	200.05290	136.6
[M+Na]+	222.03484	143.7
[M-H]-	198.03834	133.1
[M+NH4]+	217.07944	155.4
[M+K]+	238.00878	143.7
[M+H-H2O]+	182.04288	129.3
[M+HCOO]-	244.04382	155.9
[M+CH3COO]-	258.05947	184.3
[M+Na-2H]-	220.02029	140.4
[M]+	199.04507	134.2
[M]-	199.04617	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe