CID 117540

Iodonitromethane

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/CH2INO2/c2-1-3(4)5/h1H2

InChIKey

NGPZXMWROSHCLA-UHFFFAOYSA-N

Compound name

iodo(nitro)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 186.91302 Da
Monoisotopic Mass: 0.8
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]+	187.920296	124.9
[M+Na]+	209.902238	126.2
[M-H]-	185.905744	119.3
[M+NH4]+	204.946843	143.2
[M+K]+	225.876178	129.0
[M+H-H2O]+	169.910280	121.7
[M+HCOO]-	231.911221	146.0
[M+CH3COO]-	245.926871	166.2
[M+Na-2H]-	207.887686	121.8
[M]+	186.91247142	121.0
[M]-	186.91356858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe