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

38
Patents

244.99135 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.998626 149.0
[M+Na]+ 267.980568 161.4
[M-H]- 243.984074 153.5
[M+NH4]+ 263.025173 170.1
[M+K]+ 283.954508 156.9
[M+H-H2O]+ 227.988610 145.2
[M+HCOO]- 289.989551 161.4
[M+CH3COO]- 304.005201 186.8
[M+Na-2H]- 265.966016 152.3
[M]+ 244.99080142 154.8
[M]- 244.99189858 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