CID 494155

3-((triphenylphosphoranyl)methyl)benzonitrile

Structural Information

Molecular Formula
C26H21NP
SMILES
C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)C#N)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H21NP/c27-20-22-11-10-12-23(19-22)21-28(24-13-4-1-5-14-24,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h1-19H,21H2/q+1
InChIKey
ULNCTZJZNJCVFN-UHFFFAOYSA-N
Compound name
(3-cyanophenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

378.14117 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14845 206.4
[M+Na]+ 401.13039 213.7
[M-H]- 377.13389 213.6
[M+NH4]+ 396.17499 215.1
[M+K]+ 417.10433 197.7
[M+H-H2O]+ 361.13843 189.6
[M+HCOO]- 423.13937 226.9
[M+CH3COO]- 437.15502 221.9
[M+Na-2H]- 399.11584 208.2
[M]+ 378.14062 197.7
[M]- 378.14172 197.7
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

patents stripe