CID 197041

(cyanomethyl)triphenylphosphonium chloride

Structural Information

Molecular Formula
C20H17NP
SMILES
C1=CC=C(C=C1)[P+](CC#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H17NP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,17H2/q+1
InChIKey
QXTXVPBQJUGOFA-UHFFFAOYSA-N
Compound name
cyanomethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

677
Patents

302.10986 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11714 176.4
[M+Na]+ 325.09908 193.3
[M+NH4]+ 320.14368 183.4
[M+K]+ 341.07302 180.8
[M-H]- 301.10258 177.4
[M+Na-2H]- 323.08453 186.3
[M]+ 302.10931 179.0
[M]- 302.11041 179.0
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