CID 271210

Nsc114652

Structural Information

Molecular Formula
C37H26N3O2P
SMILES
C1=CC=C(C=C1)P(=C2C3=C(C=C(C=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C52)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C37H26N3O2P/c41-40(42)29-23-20-27(21-24-29)38-39-28-22-25-35-36(26-28)33-18-10-11-19-34(33)37(35)43(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-26H
InChIKey
BQVGZCPAQSVPJR-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)-[9-(triphenyl-lambda5-phosphanylidene)fluoren-3-yl]diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.1763 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.18358 235.5
[M+Na]+ 598.16552 235.8
[M-H]- 574.16902 251.4
[M+NH4]+ 593.21012 239.5
[M+K]+ 614.13946 224.7
[M+H-H2O]+ 558.17356 222.2
[M+HCOO]- 620.17450 261.8
[M+CH3COO]- 634.19015 257.2
[M+Na-2H]- 596.15097 238.4
[M]+ 575.17575 231.0
[M]- 575.17685 231.0
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.