CID 389049

Nsc684666

Structural Information

Molecular Formula
C10H12ClNO2S2
SMILES
CS(=O)(=O)N1CC(C2=C1C=C(C=C2)S)CCl
InChI
InChI=1S/C10H12ClNO2S2/c1-16(13,14)12-6-7(5-11)9-3-2-8(15)4-10(9)12/h2-4,7,15H,5-6H2,1H3
InChIKey
MDKISGZBPCJSIU-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-methylsulfonyl-2,3-dihydroindole-6-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.9998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00708 158.0
[M+Na]+ 299.98902 169.6
[M-H]- 275.99252 162.0
[M+NH4]+ 295.03362 178.0
[M+K]+ 315.96296 164.0
[M+H-H2O]+ 259.99706 154.4
[M+HCOO]- 321.99800 164.2
[M+CH3COO]- 336.01365 193.1
[M+Na-2H]- 297.97447 158.7
[M]+ 276.99925 164.2
[M]- 277.00035 164.2
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

No patent data available for this compound.