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

literature stripe

Patent stripe

patents stripe