CID 24841571

94602-52-5

Structural Information

Molecular Formula
C10H14NO4P
SMILES
CCP(=O)(CC)OC1=CC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO4P/c1-3-16(14,4-2)15-10-7-5-6-9(8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey
GYTBYOIERRXNLM-UHFFFAOYSA-N
Compound name
1-diethylphosphoryloxy-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06604 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07332 152.6
[M+Na]+ 266.05526 159.3
[M-H]- 242.05876 155.5
[M+NH4]+ 261.09986 170.0
[M+K]+ 282.02920 154.3
[M+H-H2O]+ 226.06330 149.2
[M+HCOO]- 288.06424 182.2
[M+CH3COO]- 302.07989 187.0
[M+Na-2H]- 264.04071 158.8
[M]+ 243.06549 155.2
[M]- 243.06659 155.2
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.