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

11
Patents

233.98505 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.992326 142.0
[M+Na]+ 256.974268 151.4
[M-H]- 232.977774 145.5
[M+NH4]+ 252.018873 161.4
[M+K]+ 272.948208 147.9
[M+H-H2O]+ 216.982310 138.2
[M+HCOO]- 278.983251 156.1
[M+CH3COO]- 292.998901 186.5
[M+Na-2H]- 254.959716 146.2
[M]+ 233.98450142 147.7
[M]- 233.98559858 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe