CID 124139701

3-chloro-2-methylpyridine-4-thiol

Structural Information

Molecular Formula
C6H6ClNS
SMILES
CC1=C(C(=S)C=CN1)Cl
InChI
InChI=1S/C6H6ClNS/c1-4-6(7)5(9)2-3-8-4/h2-3H,1H3,(H,8,9)
InChIKey
QSHVQUKWGCVIAE-UHFFFAOYSA-N
Compound name
3-chloro-2-methyl-1H-pyridine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

158.99095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.99823 124.8
[M+Na]+ 181.98017 136.1
[M-H]- 157.98367 126.8
[M+NH4]+ 177.02477 145.8
[M+K]+ 197.95411 130.6
[M+H-H2O]+ 141.98821 120.7
[M+HCOO]- 203.98915 137.8
[M+CH3COO]- 218.00480 171.5
[M+Na-2H]- 179.96562 128.8
[M]+ 158.99040 126.2
[M]- 158.99150 126.2
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