CID 28875570

1086380-23-5

Structural Information

Molecular Formula

C₅H₃F₃N₂O₂S

SMILES

C1(=C(SC(=N1)N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1(3(11)12)10-4(9)13-2/h(H2,9,10)(H,11,12)

InChIKey

WKLMMGOQPSMWRH-UHFFFAOYSA-N

Compound name

2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 211.98674 Da
Monoisotopic Mass: 1.4
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]+	212.99402	135.6
[M+Na]+	234.97596	145.5
[M-H]-	210.97946	133.2
[M+NH4]+	230.02056	154.2
[M+K]+	250.94990	142.5
[M+H-H2O]+	194.98400	127.8
[M+HCOO]-	256.98494	149.3
[M+CH3COO]-	271.00059	181.7
[M+Na-2H]-	232.96141	135.9
[M]+	211.98619	132.1
[M]-	211.98729	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe