CID 169434831

O,o-bis(4-bromo-2-chlorophenyl) s-propyl phosphorothioate

Structural Information

Molecular Formula
C15H13Br2Cl2O3PS
SMILES
CCCSP(=O)(OC1=C(C=C(C=C1)Br)Cl)OC2=C(C=C(C=C2)Br)Cl
InChI
InChI=1S/C15H13Br2Cl2O3PS/c1-2-7-24-23(20,21-14-5-3-10(16)8-12(14)18)22-15-6-4-11(17)9-13(15)19/h3-6,8-9H,2,7H2,1H3
InChIKey
HAWYUHKXXDWTTG-UHFFFAOYSA-N
Compound name
4-bromo-1-[(4-bromo-2-chlorophenoxy)-propylsulfanylphosphoryl]oxy-2-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.8067 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.81398 182.6
[M+Na]+ 554.79592 195.6
[M-H]- 530.79942 191.4
[M+NH4]+ 549.84052 197.2
[M+K]+ 570.76986 177.3
[M+H-H2O]+ 514.80396 189.3
[M+HCOO]- 576.80490 190.5
[M+CH3COO]- 590.82055 231.4
[M+Na-2H]- 552.78137 183.7
[M]+ 531.80615 223.5
[M]- 531.80725 223.5
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

No patent data available for this compound.