CID 4962801

4-(2-bromoethoxy)benzene-1-sulfonamide

Structural Information

Molecular Formula
C8H10BrNO3S
SMILES
C1=CC(=CC=C1OCCBr)S(=O)(=O)N
InChI
InChI=1S/C8H10BrNO3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6H2,(H2,10,11,12)
InChIKey
CYGFGUSYYFANTB-UHFFFAOYSA-N
Compound name
4-(2-bromoethoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

278.95648 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.96376 142.4
[M+Na]+ 301.94570 154.1
[M-H]- 277.94920 148.4
[M+NH4]+ 296.99030 162.1
[M+K]+ 317.91964 142.0
[M+H-H2O]+ 261.95374 142.0
[M+HCOO]- 323.95468 159.5
[M+CH3COO]- 337.97033 192.1
[M+Na-2H]- 299.93115 149.0
[M]+ 278.95593 163.3
[M]- 278.95703 163.3
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