CID 24841572

Brn 3313194

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)15-10-8-6-5-7-9(10)11(12)13/h5-8H,3-4H2,1-2H3
InChIKey
QZDIVQGQAXSUNQ-UHFFFAOYSA-N
Compound name
1-diethylphosphoryloxy-2-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 149.5
[M+Na]+ 266.05526 161.1
[M+NH4]+ 261.09986 156.1
[M+K]+ 282.02920 158.9
[M-H]- 242.05876 151.0
[M+Na-2H]- 264.04071 154.6
[M]+ 243.06549 151.3
[M]- 243.06659 151.3
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.