CID 126623109

5-bromo-1h-indole-3-sulfonyl chloride

Structural Information

Molecular Formula
C8H5BrClNO2S
SMILES
C1=CC2=C(C=C1Br)C(=CN2)S(=O)(=O)Cl
InChI
InChI=1S/C8H5BrClNO2S/c9-5-1-2-7-6(3-5)8(4-11-7)14(10,12)13/h1-4,11H
InChIKey
CYAINRUXOJMJCE-UHFFFAOYSA-N
Compound name
5-bromo-1H-indole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

292.8913 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.89858 144.1
[M+Na]+ 315.88052 161.1
[M-H]- 291.88402 150.6
[M+NH4]+ 310.92512 166.5
[M+K]+ 331.85446 147.1
[M+H-H2O]+ 275.88856 146.7
[M+HCOO]- 337.88950 156.2
[M+CH3COO]- 351.90515 188.3
[M+Na-2H]- 313.86597 151.6
[M]+ 292.89075 167.8
[M]- 292.89185 167.8
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

patents stripe