CID 2724169

2-(1,3-dioxan-2-yl)ethyltriphenylphosphonium bromide

Structural Information

Molecular Formula
C24H26O2P
SMILES
C1COC(OC1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H26O2P/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24/h1-9,11-16,24H,10,17-20H2/q+1
InChIKey
MQHXAEFTZWVNDN-UHFFFAOYSA-N
Compound name
2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
Patents

377.16705 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17433 199.9
[M+Na]+ 400.15627 200.9
[M-H]- 376.15977 210.3
[M+NH4]+ 395.20087 207.2
[M+K]+ 416.13021 192.7
[M+H-H2O]+ 360.16431 189.1
[M+HCOO]- 422.16525 220.0
[M+CH3COO]- 436.18090 210.4
[M+Na-2H]- 398.14172 203.5
[M]+ 377.16650 195.1
[M]- 377.16760 195.1
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

patents stripe