CID 2119855

2-bromo-5-[(2-methoxyethyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C10H12BrNO5S
SMILES
COCCNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O
InChI
InChI=1S/C10H12BrNO5S/c1-17-5-4-12-18(15,16)7-2-3-9(11)8(6-7)10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKey
MOXVVNKUFZYOEQ-UHFFFAOYSA-N
Compound name
2-bromo-5-(2-methoxyethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.96198 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.96926 153.1
[M+Na]+ 359.95120 153.2
[M+NH4]+ 354.99580 155.2
[M+K]+ 375.92514 154.8
[M-H]- 335.95470 151.1
[M+Na-2H]- 357.93665 154.2
[M]+ 336.96143 151.5
[M]- 336.96253 151.5
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.