CID 4962586

854137-61-4

Structural Information

Molecular Formula
C9H8ClNO3S
SMILES
CC1C2=C(C=CC(=C2)S(=O)(=O)Cl)NC1=O
InChI
InChI=1S/C9H8ClNO3S/c1-5-7-4-6(15(10,13)14)2-3-8(7)11-9(5)12/h2-5H,1H3,(H,11,12)
InChIKey
JIIBYPZOZQAHSR-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1,3-dihydroindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.99135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99863 150.3
[M+Na]+ 267.98057 162.1
[M+NH4]+ 263.02517 158.0
[M+K]+ 283.95451 156.6
[M-H]- 243.98407 149.9
[M+Na-2H]- 265.96602 153.4
[M]+ 244.99080 152.5
[M]- 244.99190 152.5
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.