CID 2734700

Tert-butyl 2,2,2-trichloroethanimidate

Structural Information

Molecular Formula

C₆H₁₀Cl₃NO

SMILES

CC(C)(C)OC(=N)C(Cl)(Cl)Cl

InChI

InChI=1S/C6H10Cl3NO/c1-5(2,3)11-4(10)6(7,8)9/h10H,1-3H3

InChIKey

CQXDYHPBXDZWBA-UHFFFAOYSA-N

Compound name

tert-butyl 2,2,2-trichloroethanimidate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1899
Patents: 216.9828 Da
Monoisotopic Mass: 3.0
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]+	217.99008	143.7
[M+Na]+	239.97202	152.2
[M-H]-	215.97552	143.1
[M+NH4]+	235.01662	163.5
[M+K]+	255.94596	147.8
[M+H-H2O]+	199.98006	142.4
[M+HCOO]-	261.98100	150.0
[M+CH3COO]-	275.99665	186.8
[M+Na-2H]-	237.95747	148.7
[M]+	216.98225	145.5
[M]-	216.98335	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe