CID 19046697

1393534-24-1

Structural Information

Molecular Formula

C₅H₅F₃N₂S

SMILES

C1=C(SC(=N1)C(F)(F)F)CN

InChI

InChI=1S/C5H5F3N2S/c6-5(7,8)4-10-2-3(1-9)11-4/h2H,1,9H2

InChIKey

UWIFKJLMIUEHQC-UHFFFAOYSA-N

Compound name

[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 182.01256 Da
Monoisotopic Mass: 0.8
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]+	183.01984	129.5
[M+Na]+	205.00178	139.5
[M-H]-	181.00528	128.2
[M+NH4]+	200.04638	150.2
[M+K]+	220.97572	136.6
[M+H-H2O]+	165.00982	121.4
[M+HCOO]-	227.01076	145.2
[M+CH3COO]-	241.02641	179.0
[M+Na-2H]-	202.98723	131.7
[M]+	182.01201	126.1
[M]-	182.01311	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe