CID 3084538

Benzene, (((diiodomethyl)sulfonyl)methyl)-

Structural Information

Molecular Formula

C₈H₈I₂O₂S

SMILES

C1=CC=C(C=C1)CS(=O)(=O)C(I)I

InChI

InChI=1S/C8H8I2O2S/c9-8(10)13(11,12)6-7-4-2-1-3-5-7/h1-5,8H,6H2

InChIKey

CMVDQYQJBJCHQM-UHFFFAOYSA-N

Compound name

diiodomethylsulfonylmethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 421.83344 Da
Monoisotopic Mass: 2.4
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]+	422.84072	159.9
[M+Na]+	444.82266	153.1
[M-H]-	420.82616	151.5
[M+NH4]+	439.86726	168.1
[M+K]+	460.79660	162.3
[M+H-H2O]+	404.83070	148.2
[M+HCOO]-	466.83164	166.6
[M+CH3COO]-	480.84729	204.2
[M+Na-2H]-	442.80811	145.8
[M]+	421.83289	156.7
[M]-	421.83399	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe