CID 3071878

N,n'-bis(dimethylamidofluoromethylphosphonite)-diaza-18-crown-6 diiodide

Structural Information

Molecular Formula
C18H42F2N4O4P2
SMILES
CN(C)[P+](C)(N1CCOCCOCCN(CCOCCOCC1)[P+](C)(N(C)C)F)F
InChI
InChI=1S/C18H42F2N4O4P2/c1-21(2)29(5,19)23-7-11-25-15-17-27-13-9-24(30(6,20)22(3)4)10-14-28-18-16-26-12-8-23/h7-18H2,1-6H3/q+2
InChIKey
ITOZFHGIMHIGHL-UHFFFAOYSA-N
Compound name
dimethylamino-[16-(dimethylamino-fluoro-methylphosphaniumyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-fluoro-methylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.26492 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.27220 194.6
[M+Na]+ 501.25414 199.9
[M+NH4]+ 496.29874 197.1
[M+K]+ 517.22808 201.8
[M-H]- 477.25764 199.8
[M+Na-2H]- 499.23959 195.2
[M]+ 478.26437 196.5
[M]- 478.26547 196.5
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

No patent data available for this compound.