CID 90032

23218-62-4

Structural Information

Molecular Formula
C15H11Cl3O4
SMILES
COC1=CC=C(C=C1)COC(=O)OC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl3O4/c1-20-10-4-2-9(3-5-10)8-21-15(19)22-14-7-12(17)11(16)6-13(14)18/h2-7H,8H2,1H3
InChIKey
UDCSECKCIHHFRO-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methyl (2,4,5-trichlorophenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.9723 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.97958 170.6
[M+Na]+ 382.96152 181.4
[M-H]- 358.96502 176.4
[M+NH4]+ 378.00612 185.4
[M+K]+ 398.93546 176.1
[M+H-H2O]+ 342.96956 165.6
[M+HCOO]- 404.97050 179.8
[M+CH3COO]- 418.98615 209.3
[M+Na-2H]- 380.94697 172.3
[M]+ 359.97175 179.6
[M]- 359.97285 179.6
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

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