CID 24841579

Brn 3344034

Structural Information

Molecular Formula
C12H18NO4P
SMILES
CCCP(=O)(CCC)OC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C12H18NO4P/c1-3-9-18(16,10-4-2)17-12-8-6-5-7-11(12)13(14)15/h5-8H,3-4,9-10H2,1-2H3
InChIKey
RAKDQIUFRCFVFR-UHFFFAOYSA-N
Compound name
1-dipropylphosphoryloxy-2-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 158.4
[M+Na]+ 294.08657 169.6
[M+NH4]+ 289.13117 164.7
[M+K]+ 310.06051 166.9
[M-H]- 270.09007 159.8
[M+Na-2H]- 292.07202 163.0
[M]+ 271.09680 160.1
[M]- 271.09790 160.1
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.