CID 3038

Dichlorphenamide

Structural Information

Molecular Formula
C6H6Cl2N2O4S2
SMILES
C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N
InChI
InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
InChIKey
GJQPMPFPNINLKP-UHFFFAOYSA-N
Compound name
4,5-dichlorobenzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

337
References

13404
Patents

303.9146 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.921876 157.1
[M+Na]+ 326.903818 167.2
[M-H]- 302.907324 160.3
[M+NH4]+ 321.948423 172.8
[M+K]+ 342.877758 160.2
[M+H-H2O]+ 286.911860 154.0
[M+HCOO]- 348.912801 161.0
[M+CH3COO]- 362.928451 197.3
[M+Na-2H]- 324.889266 159.6
[M]+ 303.91405142 160.4
[M]- 303.91514858 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe