CID 63961981

Ethyl 2-[(6-bromopyridin-2-yl)sulfanyl]acetate

Structural Information

Molecular Formula

C₉H₁₀BrNO₂S

SMILES

CCOC(=O)CSC1=NC(=CC=C1)Br

InChI

InChI=1S/C9H10BrNO2S/c1-2-13-9(12)6-14-8-5-3-4-7(10)11-8/h3-5H,2,6H2,1H3

InChIKey

ULONITWHOGVJAD-UHFFFAOYSA-N

Compound name

ethyl 2-[(6-bromo-2-pyridinyl)sulfanyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.96155 Da
Monoisotopic Mass: 3.0
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]+	275.968826	141.3
[M+Na]+	297.950768	153.3
[M-H]-	273.954274	146.7
[M+NH4]+	292.995373	160.9
[M+K]+	313.924708	142.0
[M+H-H2O]+	257.958810	141.1
[M+HCOO]-	319.959751	157.1
[M+CH3COO]-	333.975401	192.0
[M+Na-2H]-	295.936216	146.6
[M]+	274.96100142	164.2
[M]-	274.96209858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe