CID 202015

Phosphinic acid, dipropyl-, (p-nitrophenyl) ester

Structural Information

Molecular Formula
C12H18NO4P
SMILES
CCCP(=O)(CCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H18NO4P/c1-3-9-18(16,10-4-2)17-12-7-5-11(6-8-12)13(14)15/h5-8H,3-4,9-10H2,1-2H3
InChIKey
NGRUBIVZZIPGSZ-UHFFFAOYSA-N
Compound name
1-dipropylphosphoryloxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09735 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10463 162.6
[M+Na]+ 294.08657 168.5
[M-H]- 270.09007 165.2
[M+NH4]+ 289.13117 178.9
[M+K]+ 310.06051 162.9
[M+H-H2O]+ 254.09461 158.8
[M+HCOO]- 316.09555 191.5
[M+CH3COO]- 330.11120 193.2
[M+Na-2H]- 292.07202 167.8
[M]+ 271.09680 165.9
[M]- 271.09790 165.9
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

No patent data available for this compound.