CID 146485726

Potassium (2-chloro-6-methylpyridin-3-yl)sulfanide

Structural Information

Molecular Formula
C6H6ClNS
SMILES
CC1=NC(=C(C=C1)S)Cl
InChI
InChI=1S/C6H6ClNS/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
InChIKey
XQCQJGUZXWCHPD-UHFFFAOYSA-N
Compound name
2-chloro-6-methylpyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

158.99095 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.99823 124.6
[M+Na]+ 181.98017 136.1
[M-H]- 157.98367 128.1
[M+NH4]+ 177.02477 146.4
[M+K]+ 197.95411 132.3
[M+H-H2O]+ 141.98821 120.1
[M+HCOO]- 203.98915 139.0
[M+CH3COO]- 218.00480 175.0
[M+Na-2H]- 179.96562 129.2
[M]+ 158.99040 128.6
[M]- 158.99150 128.6
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