CID 4411313

Azidotris(diethylamino)phosphonium bromide

Structural Information

Molecular Formula
C12H30N6P
SMILES
CCN(CC)P(=N[N+]#N)(N(CC)CC)N(CC)CC
InChI
InChI=1S/C12H30N6P/c1-7-16(8-2)19(15-14-13,17(9-3)10-4)18(11-5)12-6/h7-12H2,1-6H3/q+1
InChIKey
YDBTXNWZQMNPCM-UHFFFAOYSA-N
Compound name
[[diazonioimino-bis(diethylamino)-lambda5-phosphanyl]-ethylamino]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

289.22696 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.23424 164.9
[M+Na]+ 312.21618 168.2
[M-H]- 288.21968 169.6
[M+NH4]+ 307.26078 180.5
[M+K]+ 328.19012 167.6
[M+H-H2O]+ 272.22422 150.7
[M+HCOO]- 334.22516 194.3
[M+CH3COO]- 348.24081 233.2
[M+Na-2H]- 310.20163 168.7
[M]+ 289.22641 164.9
[M]- 289.22751 164.9
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