CID 54197748

(2,6-dibromophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula

C₇H₅Br₂ClO₂S

SMILES

C1=CC(=C(C(=C1)Br)CS(=O)(=O)Cl)Br

InChI

InChI=1S/C7H5Br2ClO2S/c8-6-2-1-3-7(9)5(6)4-13(10,11)12/h1-3H,4H2

InChIKey

PNAUHAIBOIHXTL-UHFFFAOYSA-N

Compound name

(2,6-dibromophenyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 345.80655 Da
Monoisotopic Mass: 3.3
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]+	346.81383	133.4
[M+Na]+	368.79577	147.7
[M-H]-	344.79927	141.4
[M+NH4]+	363.84037	153.0
[M+K]+	384.76971	129.9
[M+H-H2O]+	328.80381	143.2
[M+HCOO]-	390.80475	142.6
[M+CH3COO]-	404.82040	204.9
[M+Na-2H]-	366.78122	140.9
[M]+	345.80600	171.2
[M]-	345.80710	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe