CID 11811205

2,4-dichlorophenyl 2-[4-(bromomethyl)phenoxy]acetate

Structural Information

Molecular Formula
C15H11BrCl2O3
SMILES
C1=CC(=CC=C1CBr)OCC(=O)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H11BrCl2O3/c16-8-10-1-4-12(5-2-10)20-9-15(19)21-14-6-3-11(17)7-13(14)18/h1-7H,8-9H2
InChIKey
SUSGUVGNJOZJLC-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 2-[4-(bromomethyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

387.92685 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.93413 171.3
[M+Na]+ 410.91607 184.4
[M-H]- 386.91957 180.1
[M+NH4]+ 405.96067 188.4
[M+K]+ 426.89001 170.6
[M+H-H2O]+ 370.92411 171.6
[M+HCOO]- 432.92505 183.4
[M+CH3COO]- 446.94070 210.3
[M+Na-2H]- 408.90152 175.7
[M]+ 387.92630 196.2
[M]- 387.92740 196.2
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