CID 11484214

Dibenzyl (chloromethyl) phosphate

Structural Information

Molecular Formula
C15H16ClO4P
SMILES
C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OCCl
InChI
InChI=1S/C15H16ClO4P/c16-13-20-21(17,18-11-14-7-3-1-4-8-14)19-12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKey
FVTHQGOGQRTOMY-UHFFFAOYSA-N
Compound name
dibenzyl chloromethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

491
Patents

326.0475 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.05478 172.2
[M+Na]+ 349.03672 179.0
[M-H]- 325.04022 177.3
[M+NH4]+ 344.08132 187.1
[M+K]+ 365.01066 175.1
[M+H-H2O]+ 309.04476 162.5
[M+HCOO]- 371.04570 196.2
[M+CH3COO]- 385.06135 203.4
[M+Na-2H]- 347.02217 176.2
[M]+ 326.04695 179.5
[M]- 326.04805 179.5
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

patents stripe