CID 120383

797-70-6

Structural Information

Molecular Formula
C21H21OP
SMILES
CC1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C21H21OP/c1-16-4-10-19(11-5-16)23(22,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey
SPKBYIYIZQARNX-UHFFFAOYSA-N
Compound name
1-bis(4-methylphenyl)phosphoryl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1310
Patents

320.133 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14028 179.1
[M+Na]+ 343.12222 186.6
[M-H]- 319.12572 187.8
[M+NH4]+ 338.16682 193.7
[M+K]+ 359.09616 181.0
[M+H-H2O]+ 303.13026 167.9
[M+HCOO]- 365.13120 205.9
[M+CH3COO]- 379.14685 211.0
[M+Na-2H]- 341.10767 179.8
[M]+ 320.13245 180.0
[M]- 320.13355 180.0
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.