CID 70386

I.c. 56

Structural Information

Molecular Formula

C₁₀H₁₄Br₂N₂O₂S

SMILES

C1=CC(=CC=C1N(CCBr)CCBr)S(=O)(=O)N

InChI

InChI=1S/C10H14Br2N2O2S/c11-5-7-14(8-6-12)9-1-3-10(4-2-9)17(13,15)16/h1-4H,5-8H2,(H2,13,15,16)

InChIKey

WWKINABOMDPLIE-UHFFFAOYSA-N

Compound name

4-[bis(2-bromoethyl)amino]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 383.91428 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	384.92156	149.2
[M+Na]+	406.90350	158.6
[M-H]-	382.90700	156.0
[M+NH4]+	401.94810	165.6
[M+K]+	422.87744	141.5
[M+H-H2O]+	366.91154	154.8
[M+HCOO]-	428.91248	161.8
[M+CH3COO]-	442.92813	217.4
[M+Na-2H]-	404.88895	154.7
[M]+	383.91373	184.4
[M]-	383.91483	184.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.