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

1291
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

literature stripe

Patent stripe

patents stripe