CID 11609598

N,n-dibromo-p-toluenesulfonamide

Structural Information

Molecular Formula

C₇H₇Br₂NO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(Br)Br

InChI

InChI=1S/C7H7Br2NO2S/c1-6-2-4-7(5-3-6)13(11,12)10(8)9/h2-5H,1H3

InChIKey

BEJBLYLRWIFFBD-UHFFFAOYSA-N

Compound name

N,N-dibromo-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 88
Patents: 326.8564 Da
Monoisotopic Mass: 2.8
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]+	327.86368	132.8
[M+Na]+	349.84562	144.5
[M-H]-	325.84912	141.1
[M+NH4]+	344.89022	151.9
[M+K]+	365.81956	128.9
[M+H-H2O]+	309.85366	140.4
[M+HCOO]-	371.85460	146.4
[M+CH3COO]-	385.87025	207.4
[M+Na-2H]-	347.83107	140.5
[M]+	326.85585	169.1
[M]-	326.85695	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe