CID 3138191

78078-92-9

Structural Information

Molecular Formula

C₁₁H₆ClNO₃S

SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)S(=O)(=O)Cl

InChI

InChI=1S/C11H6ClNO3S/c12-17(15,16)9-5-4-8-10-6(9)2-1-3-7(10)11(14)13-8/h1-5H,(H,13,14)

InChIKey

HBGOGAFJKXIXKJ-UHFFFAOYSA-N

Compound name

2-oxo-1H-benzo[cd]indole-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 266.97568 Da
Monoisotopic Mass: 2.1
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]+	267.98296	155.1
[M+Na]+	289.96490	167.5
[M-H]-	265.96840	158.4
[M+NH4]+	285.00950	175.7
[M+K]+	305.93884	161.5
[M+H-H2O]+	249.97294	151.5
[M+HCOO]-	311.97388	165.3
[M+CH3COO]-	325.98953	168.0
[M+Na-2H]-	287.95035	160.7
[M]+	266.97513	160.8
[M]-	266.97623	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe