CID 13136753

4-(carbonochloridoyl)phenyl ethyl carbonate

Structural Information

Molecular Formula
C10H9ClO4
SMILES
CCOC(=O)OC1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C10H9ClO4/c1-2-14-10(13)15-8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3
InChIKey
ZEKLCHCUARAYTN-UHFFFAOYSA-N
Compound name
(4-carbonochloridoylphenyl) ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

228.01894 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02622 143.2
[M+Na]+ 251.00816 152.0
[M-H]- 227.01166 147.2
[M+NH4]+ 246.05276 162.3
[M+K]+ 266.98210 149.8
[M+H-H2O]+ 211.01620 138.3
[M+HCOO]- 273.01714 162.4
[M+CH3COO]- 287.03279 186.0
[M+Na-2H]- 248.99361 147.6
[M]+ 228.01839 149.0
[M]- 228.01949 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe