CID 44630008

189099-56-7

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 186.8
[M+Na]+ 458.95229 192.9
[M+NH4]+ 453.99689 191.4
[M+K]+ 474.92623 190.6
[M-H]- 434.95579 190.6
[M+Na-2H]- 456.93774 194.1
[M]+ 435.96252 188.1
[M]- 435.96362 188.1
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.