CID 82539

Phosphonium, 1,1'-(1,2-ethanediyl)bis(tris(2-cyanoethyl)-, bromide (1:2)

Structural Information

Molecular Formula
C20H28N6P2
SMILES
C(C[P+](CCC#N)(CCC#N)CC[P+](CCC#N)(CCC#N)CCC#N)C#N
InChI
InChI=1S/C20H28N6P2/c21-7-1-13-27(14-2-8-22,15-3-9-23)19-20-28(16-4-10-24,17-5-11-25)18-6-12-26/h1-6,13-20H2/q+2
InChIKey
ZVMPJYOXBKFDPO-UHFFFAOYSA-N
Compound name
tris(2-cyanoethyl)-[2-[tris(2-cyanoethyl)phosphaniumyl]ethyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

69
Patents

414.18506 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.19234 129.8
[M+Na]+ 437.17428 130.7
[M-H]- 413.17778 131.3
[M+NH4]+ 432.21888 130.3
[M+K]+ 453.14822 130.2
[M+H-H2O]+ 397.18232 128.4
[M+HCOO]- 459.18326 129.8
[M+CH3COO]- 473.19891 254.1
[M+Na-2H]- 435.15973 128.8
[M]+ 414.18451 129.0
[M]- 414.18561 129.0
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

patents stripe