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 149.3
[M+Na]+ 267.98057 161.2
[M-H]- 243.98407 152.4
[M+NH4]+ 263.02517 169.6
[M+K]+ 283.95451 155.8
[M+H-H2O]+ 227.98861 145.8
[M+HCOO]- 289.98955 160.1
[M+CH3COO]- 304.00520 184.3
[M+Na-2H]- 265.96602 152.2
[M]+ 244.99080 153.2
[M]- 244.99190 153.2
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.