CID 43172

Trimorphamid

Structural Information

Molecular Formula

C₇H₁₁Cl₃N₂O₂

SMILES

C1COCCN1C(C(Cl)(Cl)Cl)NC=O

InChI

InChI=1S/C7H11Cl3N2O2/c8-7(9,10)6(11-5-13)12-1-3-14-4-2-12/h5-6H,1-4H2,(H,11,13)

InChIKey

IWWKIOTVAJOMJT-UHFFFAOYSA-N

Compound name

N-(2,2,2-trichloro-1-morpholin-4-ylethyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 950
Patents: 259.98862 Da
Monoisotopic Mass: 1.2
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]+	260.99590	152.6
[M+Na]+	282.97784	158.2
[M-H]-	258.98134	152.8
[M+NH4]+	278.02244	167.2
[M+K]+	298.95178	155.1
[M+H-H2O]+	242.98588	148.0
[M+HCOO]-	304.98682	155.2
[M+CH3COO]-	319.00247	191.5
[M+Na-2H]-	280.96329	157.0
[M]+	259.98807	151.6
[M]-	259.98917	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe