CID 120952

1027-12-9

Structural Information

Molecular Formula
C8H12ClN3O4S2
SMILES
CNS(=O)(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)NC
InChI
InChI=1S/C8H12ClN3O4S2/c1-11-17(13,14)7-4-8(18(15,16)12-2)6(10)3-5(7)9/h3-4,11-12H,10H2,1-2H3
InChIKey
OETUDWYVNUKHJY-UHFFFAOYSA-N
Compound name
4-amino-6-chloro-1-N,3-N-dimethylbenzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

312.9958 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.00308 168.9
[M+Na]+ 335.98502 176.4
[M+NH4]+ 331.02962 174.1
[M+K]+ 351.95896 169.9
[M-H]- 311.98852 168.7
[M+Na-2H]- 333.97047 171.5
[M]+ 312.99525 170.7
[M]- 312.99635 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe