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 157.3
[M+Na]+ 303.00799 163.5
[M-H]- 279.01149 158.2
[M+NH4]+ 298.05259 171.3
[M+K]+ 318.98193 158.8
[M+H-H2O]+ 263.01603 150.8
[M+HCOO]- 325.01697 168.0
[M+CH3COO]- 339.03262 193.9
[M+Na-2H]- 300.99344 161.1
[M]+ 280.01822 157.7
[M]- 280.01932 157.7
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.