CID 24841569

Dibutylphosphinic acid o-nitrophenyl ester

Structural Information

Molecular Formula
C14H22NO4P
SMILES
CCCCP(=O)(CCCC)OC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C14H22NO4P/c1-3-5-11-20(18,12-6-4-2)19-14-10-8-7-9-13(14)15(16)17/h7-10H,3-6,11-12H2,1-2H3
InChIKey
RHAYETSJRBXVME-UHFFFAOYSA-N
Compound name
1-dibutylphosphoryloxy-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12863 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13591 172.6
[M+Na]+ 322.11785 177.6
[M-H]- 298.12135 174.8
[M+NH4]+ 317.16245 187.7
[M+K]+ 338.09179 171.6
[M+H-H2O]+ 282.12589 168.3
[M+HCOO]- 344.12683 200.8
[M+CH3COO]- 358.14248 199.3
[M+Na-2H]- 320.10330 176.7
[M]+ 299.12808 176.6
[M]- 299.12918 176.6
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.