CID 11644

Chloroiodomethane

Structural Information

Molecular Formula

SMILES

C(Cl)I

InChI

InChI=1S/CH2ClI/c2-1-3/h1H2

InChIKey

PJGJQVRXEUVAFT-UHFFFAOYSA-N

Compound name

chloro(iodo)methane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 6200
Patents: 175.88898 Da
Monoisotopic Mass: 1.6
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]+	176.896256	112.1
[M+Na]+	198.878198	114.9
[M-H]-	174.881704	106.4
[M+NH4]+	193.922803	132.5
[M+K]+	214.852138	119.4
[M+H-H2O]+	158.886240	106.1
[M+HCOO]-	220.887181	128.0
[M+CH3COO]-	234.902831	168.9
[M+Na-2H]-	196.863646	109.1
[M]+	175.88843142	110.9
[M]-	175.88952858	110.9

Literature stripe

literature stripe

Patent stripe

patents stripe