CID 18690400

Phosphonium, octadecyltrioctyl-, iodide

Structural Information

Molecular Formula
C42H88P
SMILES
CCCCCCCCCCCCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C42H88P/c1-5-9-13-17-21-22-23-24-25-26-27-28-29-30-34-38-42-43(39-35-31-18-14-10-6-2,40-36-32-19-15-11-7-3)41-37-33-20-16-12-8-4/h5-42H2,1-4H3/q+1
InChIKey
WAVPCNDAVQRZJO-UHFFFAOYSA-N
Compound name
octadecyl(trioctyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

298
Patents

623.66235 Da
Monoisotopic Mass

19.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.66963 280.4
[M+Na]+ 646.65157 281.7
[M-H]- 622.65507 256.9
[M+NH4]+ 641.69617 276.4
[M+K]+ 662.62551 284.5
[M+H-H2O]+ 606.65961 265.1
[M+HCOO]- 668.66055 291.3
[M+CH3COO]- 682.67620 274.5
[M+Na-2H]- 644.63702 258.0
[M]+ 623.66180 277.5
[M]- 623.66290 277.5
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