CID 99367

1-propanesulfonamide, 3-bromo-n-(1,1,3,3-tetramethylbutyl)-

Structural Information

Molecular Formula
C11H24BrNO2S
SMILES
CC(C)(C)CC(C)(C)NS(=O)(=O)CCCBr
InChI
InChI=1S/C11H24BrNO2S/c1-10(2,3)9-11(4,5)13-16(14,15)8-6-7-12/h13H,6-9H2,1-5H3
InChIKey
BPDFEIOSBZCASB-UHFFFAOYSA-N
Compound name
3-bromo-N-(2,4,4-trimethylpentan-2-yl)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.0711 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07838 161.3
[M+Na]+ 336.06032 170.8
[M-H]- 312.06382 164.0
[M+NH4]+ 331.10492 180.2
[M+K]+ 352.03426 158.6
[M+H-H2O]+ 296.06836 161.2
[M+HCOO]- 358.06930 173.3
[M+CH3COO]- 372.08495 202.8
[M+Na-2H]- 334.04577 166.9
[M]+ 313.07055 183.3
[M]- 313.07165 183.3
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

No patent data available for this compound.