CID 3059609

Brn 5637911

Structural Information

Molecular Formula
C11H12ClN3O5S2
SMILES
C1=COC(=C1)CNC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl
InChI
InChI=1S/C11H12ClN3O5S2/c12-8-4-9(15-6-7-2-1-3-20-7)11(22(14,18)19)5-10(8)21(13,16)17/h1-5,15H,6H2,(H2,13,16,17)(H2,14,18,19)
InChIKey
HBHVEDVIJGINNV-UHFFFAOYSA-N
Compound name
4-chloro-6-(furan-2-ylmethylamino)benzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.9907 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.99798 179.7
[M+Na]+ 387.97992 188.4
[M-H]- 363.98342 186.6
[M+NH4]+ 383.02452 192.5
[M+K]+ 403.95386 182.9
[M+H-H2O]+ 347.98796 174.2
[M+HCOO]- 409.98890 189.8
[M+CH3COO]- 424.00455 211.2
[M+Na-2H]- 385.96537 183.3
[M]+ 364.99015 183.7
[M]- 364.99125 183.7
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

No patent data available for this compound.