CID 3018158

6-chloro-4-methyl-1h-indole-3-thiol

Structural Information

Molecular Formula
C9H8ClNS
SMILES
CC1=CC(=CC2=C1C(=CN2)S)Cl
InChI
InChI=1S/C9H8ClNS/c1-5-2-6(10)3-7-9(5)8(12)4-11-7/h2-4,11-12H,1H3
InChIKey
UWWJKBNMJSXSCH-UHFFFAOYSA-N
Compound name
6-chloro-4-methyl-1H-indole-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.00659 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.013866 136.3
[M+Na]+ 219.995808 149.9
[M-H]- 195.999314 139.9
[M+NH4]+ 215.040413 159.2
[M+K]+ 235.969748 143.8
[M+H-H2O]+ 180.003850 132.4
[M+HCOO]- 242.004791 150.5
[M+CH3COO]- 256.020441 151.1
[M+Na-2H]- 217.981256 139.9
[M]+ 197.00604142 141.4
[M]- 197.00713858 141.4
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.