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-bromopyridin-2-yl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.96155 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96883 141.3
[M+Na]+ 297.95077 153.3
[M-H]- 273.95427 146.7
[M+NH4]+ 292.99537 160.9
[M+K]+ 313.92471 142.0
[M+H-H2O]+ 257.95881 141.1
[M+HCOO]- 319.95975 157.1
[M+CH3COO]- 333.97540 192.0
[M+Na-2H]- 295.93622 146.6
[M]+ 274.96100 164.2
[M]- 274.96210 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.