CID 170531

Ethanesulfonic acid, 2-[[(4-amino-2,5-dichlorophenyl)sulfonyl]amino]-

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 166.8
[M+Na]+ 370.93005 175.2
[M-H]- 346.93355 168.7
[M+NH4]+ 365.97465 180.2
[M+K]+ 386.90399 168.0
[M+H-H2O]+ 330.93809 163.4
[M+HCOO]- 392.93903 169.6
[M+CH3COO]- 406.95468 203.6
[M+Na-2H]- 368.91550 169.7
[M]+ 347.94028 171.3
[M]- 347.94138 171.3
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