CID 3492871

Pet-16

Structural Information

Molecular Formula
C26H20P
SMILES
C1=CC=C(C=C1)C#C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H20P/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H/q+1
InChIKey
ASHQSKHFJGRKOP-UHFFFAOYSA-N
Compound name
triphenyl(2-phenylethynyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

363.13025 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13753 204.9
[M+Na]+ 386.11947 212.2
[M-H]- 362.12297 210.9
[M+NH4]+ 381.16407 213.9
[M+K]+ 402.09341 195.2
[M+H-H2O]+ 346.12751 188.7
[M+HCOO]- 408.12845 223.3
[M+CH3COO]- 422.14410 213.5
[M+Na-2H]- 384.10492 206.3
[M]+ 363.12970 194.8
[M]- 363.13080 194.8
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