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]+ 202.00879 136.7
[M+Na]+ 223.99073 146.3
[M-H]- 199.99423 139.5
[M+NH4]+ 219.03533 156.2
[M+K]+ 239.96467 142.2
[M+H-H2O]+ 183.99877 131.5
[M+HCOO]- 245.99971 149.9
[M+CH3COO]- 260.01536 181.7
[M+Na-2H]- 221.97618 139.9
[M]+ 201.00096 141.2
[M]- 201.00206 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