CID 42647314

2,3,4,9-tetrahydro-1h-carbazole-6-sulfonyl chloride

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₂S

SMILES

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)S(=O)(=O)Cl

InChI

InChI=1S/C12H12ClNO2S/c13-17(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2

InChIKey

IECUNEHTOJKUPB-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydro-5H-carbazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.02774 Da
Monoisotopic Mass: 3.3
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]+	270.035016	156.4
[M+Na]+	292.016958	167.6
[M-H]-	268.020464	159.9
[M+NH4]+	287.061563	176.7
[M+K]+	307.990898	161.3
[M+H-H2O]+	252.025000	152.3
[M+HCOO]-	314.025941	166.0
[M+CH3COO]-	328.041591	168.8
[M+Na-2H]-	290.002406	161.5
[M]+	269.02719142	159.5
[M]-	269.02828858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.