CID 2774517

97936-43-1

Structural Information

Molecular Formula
C7H6ClNOS
SMILES
CSC1=C(C=CC=N1)C(=O)Cl
InChI
InChI=1S/C7H6ClNOS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3
InChIKey
OCEMBWMMHUSVMT-UHFFFAOYSA-N
Compound name
2-methylsulfanylpyridine-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

186.98586 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.99314 132.2
[M+Na]+ 209.97508 142.2
[M-H]- 185.97858 135.2
[M+NH4]+ 205.01968 152.2
[M+K]+ 225.94902 138.4
[M+H-H2O]+ 169.98312 127.1
[M+HCOO]- 231.98406 145.7
[M+CH3COO]- 245.99971 178.7
[M+Na-2H]- 207.96053 135.8
[M]+ 186.98531 136.3
[M]- 186.98641 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe