CID 3047617

63779-86-2

Structural Information

Molecular Formula

C₇H₇ClN₄O₅S₂

SMILES

C1NS(=O)(=O)C2=CC(=C(C=C2N1N=O)Cl)S(=O)(=O)N

InChI

InChI=1S/C7H7ClN4O5S2/c8-4-1-5-7(2-6(4)18(9,14)15)19(16,17)10-3-12(5)11-13/h1-2,10H,3H2,(H2,9,14,15)

InChIKey

QJNIRHJVSXLTEW-UHFFFAOYSA-N

Compound name

6-chloro-4-nitroso-1,1-dioxo-2,3-dihydro-1lambda6,2,4-benzothiadiazine-7-sulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 325.95465 Da
Monoisotopic Mass: -0.2
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]+	326.961926	159.2
[M+Na]+	348.943868	169.8
[M-H]-	324.947374	160.6
[M+NH4]+	343.988473	174.0
[M+K]+	364.917808	164.1
[M+H-H2O]+	308.951910	155.1
[M+HCOO]-	370.952851	164.9
[M+CH3COO]-	384.968501	202.3
[M+Na-2H]-	346.929316	166.3
[M]+	325.95410142	162.8
[M]-	325.95519858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe