CID 494130

Nsc132553

Structural Information

Molecular Formula
C25H28O2P
SMILES
CCOC(=O)C[P+](C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C25H28O2P/c1-5-27-25(26)18-28(22-12-6-19(2)7-13-22,23-14-8-20(3)9-15-23)24-16-10-21(4)11-17-24/h6-17H,5,18H2,1-4H3/q+1
InChIKey
ZYPMOJHQYBKIAQ-UHFFFAOYSA-N
Compound name
(2-ethoxy-2-oxoethyl)-tris(4-methylphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.18268 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18996 204.5
[M+Na]+ 414.17190 209.4
[M-H]- 390.17540 212.8
[M+NH4]+ 409.21650 215.6
[M+K]+ 430.14584 198.8
[M+H-H2O]+ 374.17994 195.0
[M+HCOO]- 436.18088 228.6
[M+CH3COO]- 450.19653 218.0
[M+Na-2H]- 412.15735 204.5
[M]+ 391.18213 206.1
[M]- 391.18323 206.1
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

No patent data available for this compound.