CID 11011

Trichloroacetonitrile

Structural Information

Molecular Formula

SMILES

C(#N)C(Cl)(Cl)Cl

InChI

InChI=1S/C2Cl3N/c3-2(4,5)1-6

InChIKey

DRUIESSIVFYOMK-UHFFFAOYSA-N

Compound name

2,2,2-trichloroacetonitrile

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 45
References: 8560
Patents: 142.90964 Da
Monoisotopic Mass: 2.1
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]+	143.91692	124.4
[M+Na]+	165.89886	136.6
[M-H]-	141.90236	124.6
[M+NH4]+	160.94346	144.9
[M+K]+	181.87280	132.2
[M+H-H2O]+	125.90690	117.1
[M+HCOO]-	187.90784	131.1
[M+CH3COO]-	201.92349	184.9
[M+Na-2H]-	163.88431	131.2
[M]+	142.90909	121.1
[M]-	142.91019	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe