CID 5106606

2,2,2-trichloro-1,1-dimethylethyl chloroformate

Structural Information

Molecular Formula

C₅H₆Cl₄O₂

SMILES

CC(C)(C(Cl)(Cl)Cl)OC(=O)Cl

InChI

InChI=1S/C5H6Cl4O2/c1-4(2,5(7,8)9)11-3(6)10/h1-2H3

InChIKey

GMELMFSDPDSXOZ-UHFFFAOYSA-N

Compound name

(1,1,1-trichloro-2-methylpropan-2-yl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 428
Patents: 237.91219 Da
Monoisotopic Mass: 3.6
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]+	238.91947	149.0
[M+Na]+	260.90141	160.0
[M+NH4]+	255.94601	156.0
[M+K]+	276.87535	154.7
[M-H]-	236.90491	146.2
[M+Na-2H]-	258.88686	152.1
[M]+	237.91164	150.8
[M]-	237.91274	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe