CID 114376503

(2,5-dibromophenyl)methanesulfonamide

Structural Information

Molecular Formula

C₇H₇Br₂NO₂S

SMILES

C1=CC(=C(C=C1Br)CS(=O)(=O)N)Br

InChI

InChI=1S/C7H7Br2NO2S/c8-6-1-2-7(9)5(3-6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)

InChIKey

LZBCICAOQWTIMZ-UHFFFAOYSA-N

Compound name

(2,5-dibromophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.8564 Da
Monoisotopic Mass: 1.8
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]+	327.863676	133.4
[M+Na]+	349.845618	145.5
[M-H]-	325.849124	140.3
[M+NH4]+	344.890223	151.9
[M+K]+	365.819558	128.3
[M+H-H2O]+	309.853660	141.0
[M+HCOO]-	371.854601	146.1
[M+CH3COO]-	385.870251	205.2
[M+Na-2H]-	347.831066	140.2
[M]+	326.85585142	168.1
[M]-	326.85694858	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.