CID 10985391

111982-81-1

Structural Information

Molecular Formula
C38H32P2
SMILES
C1=CC=C(C=C1)P(CC2=CC=CC=C2C3=CC=CC=C3CP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C38H32P2/c1-5-19-33(20-6-1)39(34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)38-28-16-14-18-32(38)30-40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28H,29-30H2
InChIKey
SZKMTZNASRXXCE-UHFFFAOYSA-N
Compound name
[2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

484
Patents

550.19794 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.205216 243.1
[M+Na]+ 573.187158 242.0
[M-H]- 549.190664 254.6
[M+NH4]+ 568.231763 244.5
[M+K]+ 589.161098 232.9
[M+H-H2O]+ 533.195200 222.7
[M+HCOO]- 595.196141 268.2
[M+CH3COO]- 609.211791 246.2
[M+Na-2H]- 571.172606 233.1
[M]+ 550.19739142 236.8
[M]- 550.19848858 236.8
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