CID 10903022

98045-13-7

Structural Information

Molecular Formula

C₁₂H₆ClNO₅S

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])OC3=C2C=C(C=C3)S(=O)(=O)Cl

InChI

InChI=1S/C12H6ClNO5S/c13-20(17,18)8-2-4-11-10(6-8)9-3-1-7(14(15)16)5-12(9)19-11/h1-6H

InChIKey

VODKZJIRRUAGHK-UHFFFAOYSA-N

Compound name

7-nitrodibenzofuran-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 310.9655 Da
Monoisotopic Mass: 3.5
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]+	311.97278	158.9
[M+Na]+	333.95472	174.2
[M+NH4]+	328.99932	167.5
[M+K]+	349.92866	170.5
[M-H]-	309.95822	163.2
[M+Na-2H]-	331.94017	164.4
[M]+	310.96495	163.1
[M]-	310.96605	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe