CID 16227626

166883-20-1

Structural Information

Molecular Formula
C9H8ClNO3S
SMILES
CN1C(=O)CC2=C1C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO3S/c1-11-8-3-2-7(15(10,13)14)4-6(8)5-9(11)12/h2-4H,5H2,1H3
InChIKey
YFRKJJDSYAKRAU-UHFFFAOYSA-N
Compound name
1-methyl-2-oxo-3H-indole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

244.99135 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99863 149.0
[M+Na]+ 267.98057 161.4
[M-H]- 243.98407 153.5
[M+NH4]+ 263.02517 170.1
[M+K]+ 283.95451 156.9
[M+H-H2O]+ 227.98861 145.2
[M+HCOO]- 289.98955 161.4
[M+CH3COO]- 304.00520 186.8
[M+Na-2H]- 265.96602 152.3
[M]+ 244.99080 154.8
[M]- 244.99190 154.8
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