CID 4194824

1-chloroethyl 4-chlorophenyl carbonate

Structural Information

Molecular Formula

C₉H₈Cl₂O₃

SMILES

CC(OC(=O)OC1=CC=C(C=C1)Cl)Cl

InChI

InChI=1S/C9H8Cl2O3/c1-6(10)13-9(12)14-8-4-2-7(11)3-5-8/h2-6H,1H3

InChIKey

UWHUGYPQDBEUNL-UHFFFAOYSA-N

Compound name

1-chloroethyl (4-chlorophenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 233.98505 Da
Monoisotopic Mass: 3.8
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]+	234.99233	143.1
[M+Na]+	256.97427	156.7
[M+NH4]+	252.01887	151.4
[M+K]+	272.94821	150.5
[M-H]-	232.97777	144.3
[M+Na-2H]-	254.95972	149.6
[M]+	233.98450	145.9
[M]-	233.98560	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe