CID 166088000

2853616-36-9

Structural Information

Molecular Formula

C₆H₆BrF₂NS

SMILES

CC(C1=CN=C(S1)CBr)(F)F

InChI

InChI=1S/C6H6BrF2NS/c1-6(8,9)4-3-10-5(2-7)11-4/h3H,2H2,1H3

InChIKey

GCPBMMYQPJPPIS-UHFFFAOYSA-N

Compound name

2-(bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 240.93724 Da
Monoisotopic Mass: 2.4
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]+	241.94452	136.1
[M+Na]+	263.92646	150.5
[M-H]-	239.92996	139.8
[M+NH4]+	258.97106	159.1
[M+K]+	279.90040	139.1
[M+H-H2O]+	223.93450	135.6
[M+HCOO]-	285.93544	150.6
[M+CH3COO]-	299.95109	186.2
[M+Na-2H]-	261.91191	140.6
[M]+	240.93669	154.8
[M]-	240.93779	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe