CID 43444971

[(2,2,2-trifluoroethyl)carbamoyl]formic acid

Structural Information

Molecular Formula

C₄H₄F₃NO₃

SMILES

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

InChI

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

InChIKey

XOLOJRHEZRSINZ-UHFFFAOYSA-N

Compound name

2-oxo-2-(2,2,2-trifluoroethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 171.01433 Da
Monoisotopic Mass: 0.6
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	127.7
[M+Na]+	194.00355	135.2
[M-H]-	170.00705	123.1
[M+NH4]+	189.04815	146.9
[M+K]+	209.97749	134.8
[M+H-H2O]+	154.01159	120.9
[M+HCOO]-	216.01253	146.1
[M+CH3COO]-	230.02818	175.7
[M+Na-2H]-	191.98900	132.0
[M]+	171.01378	122.5
[M]-	171.01488	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe