CID 2320104

2-(5-bromo-2-ethoxybenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C15H14BrNO5S
SMILES
CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H14BrNO5S/c1-2-22-13-8-7-10(16)9-14(13)23(20,21)17-12-6-4-3-5-11(12)15(18)19/h3-9,17H,2H2,1H3,(H,18,19)
InChIKey
BRJNFERKOINKQG-UHFFFAOYSA-N
Compound name
2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.9776 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.98488 166.8
[M+Na]+ 421.96682 168.8
[M+NH4]+ 417.01142 169.2
[M+K]+ 437.94076 169.2
[M-H]- 397.97032 167.1
[M+Na-2H]- 419.95227 170.4
[M]+ 398.97705 166.2
[M]- 398.97815 166.2
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.