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

46
Patents

217.00449 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.011766 140.6
[M+Na]+ 239.993708 148.1
[M-H]- 215.997214 142.0
[M+NH4]+ 235.038313 157.4
[M+K]+ 255.967648 145.4
[M+H-H2O]+ 200.001750 135.1
[M+HCOO]- 262.002691 157.4
[M+CH3COO]- 276.018341 179.4
[M+Na-2H]- 237.979156 145.3
[M]+ 217.00394142 141.6
[M]- 217.00503858 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