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 153.5
[M+Na]+ 305.89205 167.4
[M-H]- 281.89555 155.8
[M+NH4]+ 300.93665 172.7
[M+K]+ 321.86599 160.4
[M+H-H2O]+ 265.90009 151.0
[M+HCOO]- 327.90103 156.5
[M+CH3COO]- 341.91668 166.0
[M+Na-2H]- 303.87750 156.4
[M]+ 282.90228 159.6
[M]- 282.90338 159.6
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.