CID 15710701

136411-21-7

Structural Information

Molecular Formula

C₄H₂BrF₃N₂S

SMILES

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

InChI

InChI=1S/C4H2BrF3N2S/c5-2-1(4(6,7)8)10-3(9)11-2/h(H2,9,10)

InChIKey

DSEAYBLLHONPRM-UHFFFAOYSA-N

Compound name

5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 245.90742 Da
Monoisotopic Mass: 2.5
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]+	246.91470	134.0
[M+Na]+	268.89664	148.8
[M-H]-	244.90014	136.2
[M+NH4]+	263.94124	156.1
[M+K]+	284.87058	136.4
[M+H-H2O]+	228.90468	132.0
[M+HCOO]-	290.90562	148.2
[M+CH3COO]-	304.92127	187.4
[M+Na-2H]-	266.88209	137.6
[M]+	245.90687	149.2
[M]-	245.90797	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe