CID 138040736

1875642-13-9

Structural Information

Molecular Formula
C8H8N2O5S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NC(=O)N)C(=O)O
InChI
InChI=1S/C8H8N2O5S/c9-8(13)10-16(14,15)6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)
InChIKey
NLRNDMIRIQCJHU-UHFFFAOYSA-N
Compound name
3-(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 149.4
[M+Na]+ 267.00462 156.3
[M+NH4]+ 262.04922 153.8
[M+K]+ 282.97856 153.3
[M-H]- 243.00812 147.9
[M+Na-2H]- 264.99007 152.1
[M]+ 244.01485 149.8
[M]- 244.01595 149.8
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.