CID 88774

21070-22-4

Structural Information

Molecular Formula
C16H16NO7P
SMILES
COC1=CC=C(C=C1)C(=O)COP(=O)(C)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H16NO7P/c1-22-14-7-3-12(4-8-14)16(18)11-23-25(2,21)24-15-9-5-13(6-10-15)17(19)20/h3-10H,11H2,1-2H3
InChIKey
CXUJPWFLLYPAPA-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

365.06644 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07372 179.2
[M+Na]+ 388.05566 184.0
[M-H]- 364.05916 185.0
[M+NH4]+ 383.10026 190.5
[M+K]+ 404.02960 179.3
[M+H-H2O]+ 348.06370 173.0
[M+HCOO]- 410.06464 207.5
[M+CH3COO]- 424.08029 208.1
[M+Na-2H]- 386.04111 184.0
[M]+ 365.06589 183.8
[M]- 365.06699 183.8
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

patents stripe