CID 3800838

154959-48-5

Structural Information

Molecular Formula
C27H20N5P
SMILES
C1=CC=C(C=C1)C2=NN=NN2C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C#N
InChI
InChI=1S/C27H20N5P/c28-21-26(32-27(29-30-31-32)22-13-5-1-6-14-22)33(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H
InChIKey
RLLXGPLEJBOGNM-UHFFFAOYSA-N
Compound name
2-(5-phenyltetrazol-1-yl)-2-(triphenyl-lambda5-phosphanylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.14563 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.15291 206.8
[M+Na]+ 468.13485 212.7
[M-H]- 444.13835 210.1
[M+NH4]+ 463.17945 208.4
[M+K]+ 484.10879 201.0
[M+H-H2O]+ 428.14289 183.2
[M+HCOO]- 490.14383 222.2
[M+CH3COO]- 504.15948 210.7
[M+Na-2H]- 466.12030 205.0
[M]+ 445.14508 196.7
[M]- 445.14618 196.7
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

No patent data available for this compound.