CID 494104

3-(triphenylphosphoranyl)propanenitrile

Structural Information

Molecular Formula
C21H19NP
SMILES
C1=CC=C(C=C1)[P+](CCC#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H19NP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,18H2/q+1
InChIKey
HYCVQYHHNVYMQK-UHFFFAOYSA-N
Compound name
2-cyanoethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

316.12552 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13280 186.3
[M+Na]+ 339.11474 193.7
[M-H]- 315.11824 191.8
[M+NH4]+ 334.15934 198.1
[M+K]+ 355.08868 179.9
[M+H-H2O]+ 299.12278 171.2
[M+HCOO]- 361.12372 207.9
[M+CH3COO]- 375.13937 211.3
[M+Na-2H]- 337.10019 189.9
[M]+ 316.12497 178.9
[M]- 316.12607 178.9
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