CID 97046804

1204348-65-1

Structural Information

Molecular Formula
C36H27P
SMILES
C1=CC=C(C=C1)P(C2C3=CC=CC=C3C=CC4=CC=CC=C24)C5C6=CC=CC=C6C=CC7=CC=CC=C57
InChI
InChI=1S/C36H27P/c1-2-16-30(17-3-1)37(35-31-18-8-4-12-26(31)22-23-27-13-5-9-19-32(27)35)36-33-20-10-6-14-28(33)24-25-29-15-7-11-21-34(29)36/h1-25,35-36H
InChIKey
FPKRJQIFIQXPKV-UHFFFAOYSA-N
Compound name
phenyl-bis(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

490.18503 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.19231 231.5
[M+Na]+ 513.17425 239.2
[M-H]- 489.17775 243.3
[M+NH4]+ 508.21885 240.8
[M+K]+ 529.14819 233.9
[M+H-H2O]+ 473.18229 226.6
[M+HCOO]- 535.18323 248.4
[M+CH3COO]- 549.19888 237.2
[M+Na-2H]- 511.15970 230.1
[M]+ 490.18448 226.2
[M]- 490.18558 226.2
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