CID 18942516

4-sulfamoylphthalic acid

Structural Information

Molecular Formula
C8H7NO6S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)C(=O)O
InChI
InChI=1S/C8H7NO6S/c9-16(14,15)4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)(H2,9,14,15)
InChIKey
WHJAVRZKKYXINE-UHFFFAOYSA-N
Compound name
4-sulfamoylphthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.9994 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00668 148.9
[M+Na]+ 267.98862 156.5
[M+NH4]+ 263.03322 153.0
[M+K]+ 283.96256 154.1
[M-H]- 243.99212 146.3
[M+Na-2H]- 265.97407 150.7
[M]+ 244.99885 149.1
[M]- 244.99995 149.1
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

patents stripe