CID 15122066

141761-77-5

Structural Information

Molecular Formula

SMILES

C1=C(N=C(S1)C(F)(F)F)Br

InChI

InChI=1S/C4HBrF3NS/c5-2-1-10-3(9-2)4(6,7)8/h1H

InChIKey

JWIFAKPFCFVBQD-UHFFFAOYSA-N

Compound name

4-bromo-2-(trifluoromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 230.89651 Da
Monoisotopic Mass: 2.9
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]+	231.903786	130.3
[M+Na]+	253.885728	145.5
[M-H]-	229.889234	133.0
[M+NH4]+	248.930333	153.6
[M+K]+	269.859668	134.2
[M+H-H2O]+	213.893770	129.2
[M+HCOO]-	275.894711	144.5
[M+CH3COO]-	289.910361	182.6
[M+Na-2H]-	251.871176	135.1
[M]+	230.89596142	147.1
[M]-	230.89705858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe