CID 102196588

1166994-77-9

Structural Information

Molecular Formula
C34H37P
SMILES
C1CCC(CC1)P(C2CCCCC2)C3=C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C7=CC=CC=C7
InChI
InChI=1S/C34H37P/c1-4-14-24(15-5-1)31-32-27-20-10-12-22-29(27)33(30-23-13-11-21-28(30)32)34(31)35(25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1,4-5,10-15,20-23,25-26,32-33H,2-3,6-9,16-19H2
InChIKey
IZGZRDMNBDXDBL-UHFFFAOYSA-N
Compound name
dicyclohexyl-(16-phenyl-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.26328 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.27056 209.6
[M+Na]+ 499.25250 205.2
[M-H]- 475.25600 214.8
[M+NH4]+ 494.29710 219.1
[M+K]+ 515.22644 197.0
[M+H-H2O]+ 459.26054 191.7
[M+HCOO]- 521.26148 216.5
[M+CH3COO]- 535.27713 211.9
[M+Na-2H]- 497.23795 205.1
[M]+ 476.26273 199.3
[M]- 476.26383 199.3
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

No patent data available for this compound.