CID 170531

41538-78-7

Structural Information

Molecular Formula
C8H10Cl2N2O5S2
SMILES
C1=C(C(=CC(=C1Cl)S(=O)(=O)NCCS(=O)(=O)O)Cl)N
InChI
InChI=1S/C8H10Cl2N2O5S2/c9-5-4-8(6(10)3-7(5)11)19(16,17)12-1-2-18(13,14)15/h3-4,12H,1-2,11H2,(H,13,14,15)
InChIKey
OCKRQFFXSXLNBJ-UHFFFAOYSA-N
Compound name
2-[(4-amino-2,5-dichlorophenyl)sulfonylamino]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

347.94083 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.94811 176.4
[M+Na]+ 370.93005 184.5
[M+NH4]+ 365.97465 181.1
[M+K]+ 386.90399 177.7
[M-H]- 346.93355 174.8
[M+Na-2H]- 368.91550 178.0
[M]+ 347.94028 178.1
[M]- 347.94138 178.1
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