CID 21759

5581-35-1

Structural Information

Molecular Formula

C₁₁H₁₂Cl₃N

SMILES

CC(CC1=CC=CC=C1)N=CC(Cl)(Cl)Cl

InChI

InChI=1S/C11H12Cl3N/c1-9(15-8-11(12,13)14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3

InChIKey

VBZDETYCYXPOAK-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-N-(1-phenylpropan-2-yl)ethanimine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1842
Patents: 263.00354 Da
Monoisotopic Mass: 4.1
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]+	264.010816	157.0
[M+Na]+	285.992758	164.9
[M-H]-	261.996264	159.8
[M+NH4]+	281.037363	175.3
[M+K]+	301.966698	158.9
[M+H-H2O]+	246.000800	152.9
[M+HCOO]-	308.001741	165.8
[M+CH3COO]-	322.017391	197.5
[M+Na-2H]-	283.978206	161.5
[M]+	263.00299142	160.0
[M]-	263.00408858	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe