CID 69594

Clofenamide

Structural Information

Molecular Formula

C₆H₇ClN₂O₄S₂

SMILES

C1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)N)Cl

InChI

InChI=1S/C6H7ClN2O4S2/c7-5-2-1-4(14(8,10)11)3-6(5)15(9,12)13/h1-3H,(H2,8,10,11)(H2,9,12,13)

InChIKey

NENBAISIHCWPKP-UHFFFAOYSA-N

Compound name

4-chlorobenzene-1,3-disulfonamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 15
References: 3038
Patents: 269.95358 Da
Monoisotopic Mass: -0.7
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]+	270.96086	152.0
[M+Na]+	292.94280	161.5
[M-H]-	268.94630	155.1
[M+NH4]+	287.98740	168.4
[M+K]+	308.91674	155.2
[M+H-H2O]+	252.95084	147.4
[M+HCOO]-	314.95178	160.7
[M+CH3COO]-	328.96743	191.6
[M+Na-2H]-	290.92825	155.6
[M]+	269.95303	154.0
[M]-	269.95413	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe