CID 155908881

(5-chloropyridin-2-yl)methanethiol

Structural Information

Molecular Formula
C6H6ClNS
SMILES
C1=CC(=NC=C1Cl)CS
InChI
InChI=1S/C6H6ClNS/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4H2
InChIKey
AGCCYBZLGNUHMN-UHFFFAOYSA-N
Compound name
(5-chloropyridin-2-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.99095 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.99823 125.1
[M+Na]+ 181.98017 135.7
[M-H]- 157.98367 128.2
[M+NH4]+ 177.02477 146.6
[M+K]+ 197.95411 131.9
[M+H-H2O]+ 141.98821 120.3
[M+HCOO]- 203.98915 139.5
[M+CH3COO]- 218.00480 173.9
[M+Na-2H]- 179.96562 130.3
[M]+ 158.99040 128.7
[M]- 158.99150 128.7
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

No patent data available for this compound.