CID 22179305

42138-14-7

Structural Information

Molecular Formula

C₁₂H₇ClO₃S

SMILES

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)S(=O)(=O)Cl

InChI

InChI=1S/C12H7ClO3S/c13-17(14,15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H

InChIKey

CGJNXSWIIBSXII-UHFFFAOYSA-N

Compound name

dibenzofuran-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 265.98044 Da
Monoisotopic Mass: 4.1
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]+	266.98772	152.5
[M+Na]+	288.96966	168.5
[M+NH4]+	284.01426	162.6
[M+K]+	304.94360	160.8
[M-H]-	264.97316	156.5
[M+Na-2H]-	286.95511	159.2
[M]+	265.97989	157.0
[M]-	265.98099	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe