CID 24836815

(2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium

Structural Information

Molecular Formula
C16H38O6P3
SMILES
CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)/p+1
InChIKey
QCMHKGWUOSRYCF-UHFFFAOYSA-O
Compound name
2,2-diphosphonoethyl-dodecyl-dimethylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1881 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19538 194.3
[M+Na]+ 442.17732 192.8
[M-H]- 418.18082 189.4
[M+NH4]+ 437.22192 192.5
[M+K]+ 458.15126 185.8
[M+H-H2O]+ 402.18536 162.8
[M+HCOO]- 464.18630 209.9
[M+CH3COO]- 478.20195 213.4
[M+Na-2H]- 440.16277 176.3
[M]+ 419.18755 187.1
[M]- 419.18865 187.1
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

No patent data available for this compound.