CID 123617898

5-chloro-2-methoxypyridine-3-thiol

Structural Information

Molecular Formula
C6H6ClNOS
SMILES
COC1=C(C=C(C=N1)Cl)S
InChI
InChI=1S/C6H6ClNOS/c1-9-6-5(10)2-4(7)3-8-6/h2-3,10H,1H3
InChIKey
GSSZHGHXLHZOFY-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxypyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.98586 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.99314 128.1
[M+Na]+ 197.97508 139.5
[M-H]- 173.97858 131.6
[M+NH4]+ 193.01968 149.2
[M+K]+ 213.94902 136.1
[M+H-H2O]+ 157.98312 123.4
[M+HCOO]- 219.98406 142.8
[M+CH3COO]- 233.99971 176.9
[M+Na-2H]- 195.96053 132.7
[M]+ 174.98531 133.5
[M]- 174.98641 133.5
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