CID 105506161

2-bromo-5-methyl-4-(trifluoromethyl)thiazole

Structural Information

Molecular Formula

C₅H₃BrF₃NS

SMILES

CC1=C(N=C(S1)Br)C(F)(F)F

InChI

InChI=1S/C5H3BrF3NS/c1-2-3(5(7,8)9)10-4(6)11-2/h1H3

InChIKey

WQTHIEPDYWLKOK-UHFFFAOYSA-N

Compound name

2-bromo-5-methyl-4-(trifluoromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 244.91217 Da
Monoisotopic Mass: 3.3
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]+	245.919446	134.3
[M+Na]+	267.901388	149.9
[M-H]-	243.904894	137.2
[M+NH4]+	262.945993	157.3
[M+K]+	283.875328	138.3
[M+H-H2O]+	227.909430	133.2
[M+HCOO]-	289.910371	148.1
[M+CH3COO]-	303.926021	186.5
[M+Na-2H]-	265.886836	138.1
[M]+	244.91162142	151.8
[M]-	244.91271858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe