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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99233 142.0
[M+Na]+ 256.97427 151.4
[M-H]- 232.97777 145.5
[M+NH4]+ 252.01887 161.4
[M+K]+ 272.94821 147.9
[M+H-H2O]+ 216.98231 138.2
[M+HCOO]- 278.98325 156.1
[M+CH3COO]- 292.99890 186.5
[M+Na-2H]- 254.95972 146.2
[M]+ 233.98450 147.7
[M]- 233.98560 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