CID 84974

15536-01-3

Structural Information

Molecular Formula
C9H12NO5P
SMILES
CCP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H12NO5P/c1-3-16(13,14-2)15-9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3
InChIKey
ANOLNVUBNLISAF-UHFFFAOYSA-N
Compound name
1-[ethyl(methoxy)phosphoryl]oxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0453 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05258 147.8
[M+Na]+ 268.03452 159.2
[M+NH4]+ 263.07912 154.0
[M+K]+ 284.00846 157.7
[M-H]- 244.03802 148.8
[M+Na-2H]- 266.01997 152.7
[M]+ 245.04475 149.4
[M]- 245.04585 149.4
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.