CID 116440

64050-54-0

Structural Information

Molecular Formula
C14H12NO6P
SMILES
COP(=O)(OC)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C14H12NO6P/c1-19-22(18,20-2)21-15-13(16)10-7-3-5-9-6-4-8-11(12(9)10)14(15)17/h3-8H,1-2H3
InChIKey
SFWMYVAUEVMHSH-UHFFFAOYSA-N
Compound name
(1,3-dioxobenzo[de]isoquinolin-2-yl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.04022 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.04750 167.9
[M+Na]+ 344.02944 176.6
[M-H]- 320.03294 170.3
[M+NH4]+ 339.07404 183.5
[M+K]+ 360.00338 175.3
[M+H-H2O]+ 304.03748 157.9
[M+HCOO]- 366.03842 191.0
[M+CH3COO]- 380.05407 208.5
[M+Na-2H]- 342.01489 173.2
[M]+ 321.03967 175.0
[M]- 321.04077 175.0
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.