CID 487960

Phenyl-(4-sulfamoylanilino)methanesulfonic acid

Structural Information

Molecular Formula
C13H14N2O5S2
SMILES
C1=CC=C(C=C1)C(NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)O
InChI
InChI=1S/C13H14N2O5S2/c14-21(16,17)12-8-6-11(7-9-12)15-13(22(18,19)20)10-4-2-1-3-5-10/h1-9,13,15H,(H2,14,16,17)(H,18,19,20)
InChIKey
OJIWXMMGGQRUDD-UHFFFAOYSA-N
Compound name
phenyl-(4-sulfamoylanilino)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.03442 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04170 173.4
[M+Na]+ 365.02364 179.1
[M-H]- 341.02714 177.3
[M+NH4]+ 360.06824 184.7
[M+K]+ 380.99758 173.3
[M+H-H2O]+ 325.03168 166.0
[M+HCOO]- 387.03262 184.5
[M+CH3COO]- 401.04827 204.8
[M+Na-2H]- 363.00909 178.3
[M]+ 342.03387 173.4
[M]- 342.03497 173.4
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.