CID 2828394

1-diphenylphosphoryl-2-methoxybenzene

Structural Information

Molecular Formula
C19H17O2P
SMILES
COC1=CC=CC=C1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17O2P/c1-21-18-14-8-9-15-19(18)22(20,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3
InChIKey
JXRWPAKVXWPGCD-UHFFFAOYSA-N
Compound name
1-diphenylphosphoryl-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

51
Patents

308.09662 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10390 173.9
[M+Na]+ 331.08584 180.3
[M-H]- 307.08934 182.1
[M+NH4]+ 326.13044 188.2
[M+K]+ 347.05978 175.7
[M+H-H2O]+ 291.09388 162.5
[M+HCOO]- 353.09482 201.6
[M+CH3COO]- 367.11047 204.8
[M+Na-2H]- 329.07129 177.1
[M]+ 308.09607 174.6
[M]- 308.09717 174.6
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