CID 38723

Methane, chlorodinitroiodo-

Structural Information

Molecular Formula

SMILES

C([N+](=O)[O-])([N+](=O)[O-])(Cl)I

InChI

InChI=1S/CClIN2O4/c2-1(3,4(6)7)5(8)9

InChIKey

KQQOMBMZONPEKY-UHFFFAOYSA-N

Compound name

chloro-iodo-dinitromethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.85913 Da
Monoisotopic Mass: 1.4
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]+	266.86641	146.7
[M+Na]+	288.84835	147.6
[M-H]-	264.85185	141.1
[M+NH4]+	283.89295	161.2
[M+K]+	304.82229	144.8
[M+H-H2O]+	248.85639	148.8
[M+HCOO]-	310.85733	162.5
[M+CH3COO]-	324.87298	172.6
[M+Na-2H]-	286.83380	144.8
[M]+	265.85858	142.5
[M]-	265.85968	142.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.