CID 80235

Tributyl(p-nitrobenzyl)phosphonium bromide

Structural Information

Molecular Formula
C19H33NO2P
SMILES
CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C19H33NO2P/c1-4-7-14-23(15-8-5-2,16-9-6-3)17-18-10-12-19(13-11-18)20(21)22/h10-13H,4-9,14-17H2,1-3H3/q+1
InChIKey
ZDYVKPPWUCRVDG-UHFFFAOYSA-N
Compound name
tributyl-[(4-nitrophenyl)methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.22488 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.23216 194.5
[M+Na]+ 361.21410 197.4
[M-H]- 337.21760 196.0
[M+NH4]+ 356.25870 207.9
[M+K]+ 377.18804 184.2
[M+H-H2O]+ 321.22214 192.4
[M+HCOO]- 383.22308 219.7
[M+CH3COO]- 397.23873 205.3
[M+Na-2H]- 359.19955 197.8
[M]+ 338.22433 196.8
[M]- 338.22543 196.8
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.