CID 44630008

Diphenyl 4-bromo-alpha-chlorobenzylphosphonate

Structural Information

Molecular Formula
C19H15BrClO3P
SMILES
C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)Br)Cl)OC3=CC=CC=C3
InChI
InChI=1S/C19H15BrClO3P/c20-16-13-11-15(12-14-16)19(21)25(22,23-17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14,19H
InChIKey
ZSYMFYMYJVSPDH-UHFFFAOYSA-N
Compound name
1-bromo-4-[chloro(diphenoxyphosphoryl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.96307 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.97035 198.8
[M+Na]+ 458.95229 208.3
[M-H]- 434.95579 209.1
[M+NH4]+ 453.99689 212.7
[M+K]+ 474.92623 195.7
[M+H-H2O]+ 418.96033 194.7
[M+HCOO]- 480.96127 218.2
[M+CH3COO]- 494.97692 218.9
[M+Na-2H]- 456.93774 201.0
[M]+ 435.96252 220.9
[M]- 435.96362 220.9
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.