CID 117057

Benzoic acid, 4-(sulfoamino)-

Structural Information

Molecular Formula
C7H7NO5S
SMILES
C1=CC(=CC=C1C(=O)O)NS(=O)(=O)O
InChI
InChI=1S/C7H7NO5S/c9-7(10)5-1-3-6(4-2-5)8-14(11,12)13/h1-4,8H,(H,9,10)(H,11,12,13)
InChIKey
HLIYJBPIVVVYRR-UHFFFAOYSA-N
Compound name
4-(sulfoamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

217.00449 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01177 140.6
[M+Na]+ 239.99371 148.1
[M-H]- 215.99721 142.0
[M+NH4]+ 235.03831 157.4
[M+K]+ 255.96765 145.4
[M+H-H2O]+ 200.00175 135.1
[M+HCOO]- 262.00269 157.4
[M+CH3COO]- 276.01834 179.4
[M+Na-2H]- 237.97916 145.3
[M]+ 217.00394 141.6
[M]- 217.00504 141.6
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