CID 151485

(3-cyanopropyl)triphenylphosphonium

Structural Information

Molecular Formula
C22H21NP
SMILES
C1=CC=C(C=C1)[P+](CCCC#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21NP/c23-18-10-11-19-24(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,19H2/q+1
InChIKey
NNVNGIVUNHCLBC-UHFFFAOYSA-N
Compound name
3-cyanopropyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

330.14117 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14845 190.4
[M+Na]+ 353.13039 197.4
[M-H]- 329.13389 195.7
[M+NH4]+ 348.17499 201.7
[M+K]+ 369.10433 183.4
[M+H-H2O]+ 313.13843 175.1
[M+HCOO]- 375.13937 211.7
[M+CH3COO]- 389.15502 213.9
[M+Na-2H]- 351.11584 193.6
[M]+ 330.14062 183.3
[M]- 330.14172 183.3
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

patents stripe