CID 2774534

2-(ethylthio)nicotinoyl chloride

Structural Information

Molecular Formula
C8H8ClNOS
SMILES
CCSC1=C(C=CC=N1)C(=O)Cl
InChI
InChI=1S/C8H8ClNOS/c1-2-12-8-6(7(9)11)4-3-5-10-8/h3-5H,2H2,1H3
InChIKey
HVBVEALTDTVCAO-UHFFFAOYSA-N
Compound name
2-ethylsulfanylpyridine-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

201.00151 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.008786 136.7
[M+Na]+ 223.990728 146.3
[M-H]- 199.994234 139.5
[M+NH4]+ 219.035333 156.2
[M+K]+ 239.964668 142.2
[M+H-H2O]+ 183.998770 131.5
[M+HCOO]- 245.999711 149.9
[M+CH3COO]- 260.015361 181.7
[M+Na-2H]- 221.976176 139.9
[M]+ 201.00096142 141.2
[M]- 201.00205858 141.2
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

patents stripe