CID 87110781

1365531-90-3

Structural Information

Molecular Formula
C48H52O4P2
SMILES
CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3C4=C(C=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C
InChI
InChI=1S/C48H52O4P2/c1-29-13-30(2)18-39(17-29)53(40-19-31(3)14-32(4)20-40)45-27-37(49-9)25-43(51-11)47(45)48-44(52-12)26-38(50-10)28-46(48)54(41-21-33(5)15-34(6)22-41)42-23-35(7)16-36(8)24-42/h13-28H,1-12H3
InChIKey
IDNKFBDRZBLTFQ-UHFFFAOYSA-N
Compound name
[2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

754.3341 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.34138 298.1
[M+Na]+ 777.32332 317.8
[M+NH4]+ 772.36792 303.4
[M+K]+ 793.29726 305.2
[M-H]- 753.32682 311.7
[M+Na-2H]- 775.30877 308.1
[M]+ 754.33355 305.4
[M]- 754.33465 305.4
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

patents stripe