CID 494087

(4-(2-formylphenoxy)butyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C29H28O2P
SMILES
C1=CC=C(C=C1)[P+](CCCCOC2=CC=CC=C2C=O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H28O2P/c30-24-25-14-10-11-21-29(25)31-22-12-13-23-32(26-15-4-1-5-16-26,27-17-6-2-7-18-27)28-19-8-3-9-20-28/h1-11,14-21,24H,12-13,22-23H2/q+1
InChIKey
BPSLEMMGPHEIBA-UHFFFAOYSA-N
Compound name
4-(2-formylphenoxy)butyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.18268 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.18996 219.9
[M+Na]+ 462.17190 222.1
[M-H]- 438.17540 229.4
[M+NH4]+ 457.21650 227.2
[M+K]+ 478.14584 209.6
[M+H-H2O]+ 422.17994 207.6
[M+HCOO]- 484.18088 243.9
[M+CH3COO]- 498.19653 223.7
[M+Na-2H]- 460.15735 221.6
[M]+ 439.18213 219.0
[M]- 439.18323 219.0
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.