CID 391096

Nsc689714

Structural Information

Molecular Formula
C33H34OP2
SMILES
CC1=CC(=CC=C1)CP(CC2=CC=CC(=C2)C)CC3(COC3)CP4C5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C33H34OP2/c1-25-9-7-11-27(17-25)19-35(20-28-12-8-10-26(2)18-28)23-33(21-34-22-33)24-36-31-15-5-3-13-29(31)30-14-4-6-16-32(30)36/h3-18H,19-24H2,1-2H3
InChIKey
NCFUYQICOXAVOK-UHFFFAOYSA-N
Compound name
[3-(benzo[b]phosphindol-5-ylmethyl)oxetan-3-yl]methyl-bis[(3-methylphenyl)methyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.2085 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.21578 233.4
[M+Na]+ 531.19772 237.2
[M-H]- 507.20122 244.2
[M+NH4]+ 526.24232 237.9
[M+K]+ 547.17166 233.7
[M+H-H2O]+ 491.20576 212.3
[M+HCOO]- 553.20670 258.5
[M+CH3COO]- 567.22235 239.7
[M+Na-2H]- 529.18317 224.4
[M]+ 508.20795 243.4
[M]- 508.20905 243.4
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

No patent data available for this compound.