CID 10421994

79679-16-6

Structural Information

Molecular Formula

C₉H₈ClNO₃S

SMILES

C1CN(C2=C1C=C(C=C2)S(=O)(=O)Cl)C=O

InChI

InChI=1S/C9H8ClNO3S/c10-15(13,14)8-1-2-9-7(5-8)3-4-11(9)6-12/h1-2,5-6H,3-4H2

InChIKey

CBFKYLBXAGYDRS-UHFFFAOYSA-N

Compound name

1-formyl-2,3-dihydroindole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 244.99135 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.99863	149.6
[M+Na]+	267.98057	161.1
[M-H]-	243.98407	153.7
[M+NH4]+	263.02517	170.3
[M+K]+	283.95451	156.6
[M+H-H2O]+	227.98861	145.4
[M+HCOO]-	289.98955	162.0
[M+CH3COO]-	304.00520	185.6
[M+Na-2H]-	265.96602	153.4
[M]+	244.99080	154.9
[M]-	244.99190	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe