CID 199541

4378-74-9

Structural Information

Molecular Formula
C8H12N2O5S2
SMILES
CC(NC1=CC=C(C=C1)S(=O)(=O)N)S(=O)(=O)O
InChI
InChI=1S/C8H12N2O5S2/c1-6(17(13,14)15)10-7-2-4-8(5-3-7)16(9,11)12/h2-6,10H,1H3,(H2,9,11,12)(H,13,14,15)
InChIKey
SPZVUQUMEOONNW-UHFFFAOYSA-N
Compound name
1-(4-sulfamoylanilino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01877 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02605 158.8
[M+Na]+ 303.00799 164.8
[M+NH4]+ 298.05259 163.2
[M+K]+ 318.98193 160.2
[M-H]- 279.01149 157.0
[M+Na-2H]- 300.99344 161.0
[M]+ 280.01822 159.5
[M]- 280.01932 159.5
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.