CID 33755151

1092282-30-8

Structural Information

Molecular Formula
C8H8N2O5S
SMILES
C1=CC(=CC=C1C(=O)O)S(=O)(=O)NC(=O)N
InChI
InChI=1S/C8H8N2O5S/c9-8(13)10-16(14,15)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)
InChIKey
PMLQKJVKPBUDCW-UHFFFAOYSA-N
Compound name
4-(carbamoylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0154 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02268 147.9
[M+Na]+ 267.00462 154.5
[M-H]- 243.00812 149.9
[M+NH4]+ 262.04922 163.6
[M+K]+ 282.97856 152.0
[M+H-H2O]+ 227.01266 141.6
[M+HCOO]- 289.01360 165.3
[M+CH3COO]- 303.02925 189.0
[M+Na-2H]- 264.99007 151.1
[M]+ 244.01485 147.8
[M]- 244.01595 147.8
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.