CID 3057506

74039-83-1

Structural Information

Molecular Formula
C21H21O4P
SMILES
COC1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H21O4P/c1-23-16-4-10-19(11-5-16)26(22,20-12-6-17(24-2)7-13-20)21-14-8-18(25-3)9-15-21/h4-15H,1-3H3
InChIKey
KSTMQPBYFFFVFI-UHFFFAOYSA-N
Compound name
1-bis(4-methoxyphenyl)phosphoryl-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

368.11774 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12502 187.0
[M+Na]+ 391.10696 202.5
[M+NH4]+ 386.15156 194.4
[M+K]+ 407.08090 194.6
[M-H]- 367.11046 192.7
[M+Na-2H]- 389.09241 197.5
[M]+ 368.11719 191.0
[M]- 368.11829 191.0
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