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 154.4
[M+Na]+ 359.95120 164.8
[M-H]- 335.95470 159.3
[M+NH4]+ 354.99580 171.1
[M+K]+ 375.92514 152.8
[M+H-H2O]+ 319.95924 153.4
[M+HCOO]- 381.96018 169.4
[M+CH3COO]- 395.97583 201.2
[M+Na-2H]- 357.93665 159.4
[M]+ 336.96143 176.7
[M]- 336.96253 176.7
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.