CID 11299122

30148-23-3

Structural Information

Molecular Formula

C₆H₅Cl₃N₂O

SMILES

CN1C=CN=C1C(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C6H5Cl3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-3H,1H3

InChIKey

MODGUAUPMUUXLN-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-1-(1-methylimidazol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 225.94675 Da
Monoisotopic Mass: 1.9
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]+	226.95403	143.0
[M+Na]+	248.93597	153.5
[M-H]-	224.93947	142.6
[M+NH4]+	243.98057	161.3
[M+K]+	264.90991	148.8
[M+H-H2O]+	208.94401	137.7
[M+HCOO]-	270.94495	148.8
[M+CH3COO]-	284.96060	184.8
[M+Na-2H]-	246.92142	146.4
[M]+	225.94620	145.4
[M]-	225.94730	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe