CID 90404468

1628317-82-7

Structural Information

Molecular Formula

C₇H₇F₃N₂OS

SMILES

C1=C(SC(=C1C(=O)N)N)CC(F)(F)F

InChI

InChI=1S/C7H7F3N2OS/c8-7(9,10)2-3-1-4(5(11)13)6(12)14-3/h1H,2,12H2,(H2,11,13)

InChIKey

CNZNHOKCAAJNCF-UHFFFAOYSA-N

Compound name

2-amino-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 224.02312 Da
Monoisotopic Mass: 2.1
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]+	225.03040	141.0
[M+Na]+	247.01234	149.7
[M-H]-	223.01584	140.4
[M+NH4]+	242.05694	160.5
[M+K]+	262.98628	146.1
[M+H-H2O]+	207.02038	133.0
[M+HCOO]-	269.02132	156.8
[M+CH3COO]-	283.03697	189.8
[M+Na-2H]-	244.99779	140.1
[M]+	224.02257	136.3
[M]-	224.02367	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe