CID 500003

Einecs 231-289-3

Structural Information

Molecular Formula
C27H26P
SMILES
C1=CC=C(C=C1)CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H26P/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27/h1-12,14-15,17-22H,13,16,23H2/q+1
InChIKey
YEWDWCMFWXAKLL-UHFFFAOYSA-N
Compound name
triphenyl(3-phenylpropyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

381.17722 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18450 204.5
[M+Na]+ 404.16644 206.9
[M-H]- 380.16994 214.0
[M+NH4]+ 399.21104 214.3
[M+K]+ 420.14038 193.9
[M+H-H2O]+ 364.17448 193.2
[M+HCOO]- 426.17542 228.8
[M+CH3COO]- 440.19107 214.0
[M+Na-2H]- 402.15189 207.6
[M]+ 381.17667 200.9
[M]- 381.17777 200.9
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