CID 167742267

3-bromo-5-(methoxymethoxy)benzene-1-sulfonamide

Structural Information

Molecular Formula
C8H10BrNO4S
SMILES
COCOC1=CC(=CC(=C1)Br)S(=O)(=O)N
InChI
InChI=1S/C8H10BrNO4S/c1-13-5-14-7-2-6(9)3-8(4-7)15(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
InChIKey
KVYKEMTZNVEHAC-UHFFFAOYSA-N
Compound name
3-bromo-5-(methoxymethoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9514 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.95868 144.4
[M+Na]+ 317.94062 156.7
[M-H]- 293.94412 150.7
[M+NH4]+ 312.98522 163.7
[M+K]+ 333.91456 145.1
[M+H-H2O]+ 277.94866 143.9
[M+HCOO]- 339.94960 161.6
[M+CH3COO]- 353.96525 195.3
[M+Na-2H]- 315.92607 150.6
[M]+ 294.95085 167.0
[M]- 294.95195 167.0
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.