CID 120391

Brn 2650478

Structural Information

Molecular Formula
C10H15BrN2O2S
SMILES
CCN(CCBr)C1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C10H15BrN2O2S/c1-2-13(8-7-11)9-3-5-10(6-4-9)16(12,14)15/h3-6H,2,7-8H2,1H3,(H2,12,14,15)
InChIKey
QWYHOSSBUPJPKI-UHFFFAOYSA-N
Compound name
4-[2-bromoethyl(ethyl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.00375 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01103 151.6
[M+Na]+ 328.99297 161.8
[M-H]- 304.99647 158.4
[M+NH4]+ 324.03757 170.5
[M+K]+ 344.96691 149.7
[M+H-H2O]+ 289.00101 149.9
[M+HCOO]- 351.00195 169.0
[M+CH3COO]- 365.01760 203.6
[M+Na-2H]- 326.97842 156.8
[M]+ 306.00320 172.1
[M]- 306.00430 172.1
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.