CID 82378433

1780367-17-0

Structural Information

Molecular Formula
C8H4Cl3NO2S
SMILES
C1=C2C(=CC(=C1Cl)Cl)NC=C2S(=O)(=O)Cl
InChI
InChI=1S/C8H4Cl3NO2S/c9-5-1-4-7(2-6(5)10)12-3-8(4)15(11,13)14/h1-3,12H
InChIKey
ZRVSDKLSKIDBJG-UHFFFAOYSA-N
Compound name
5,6-dichloro-1H-indole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.90283 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.91011 158.6
[M+Na]+ 305.89205 173.3
[M+NH4]+ 300.93665 167.0
[M+K]+ 321.86599 165.5
[M-H]- 281.89555 158.8
[M+Na-2H]- 303.87750 163.4
[M]+ 282.90228 162.0
[M]- 282.90338 162.0
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.