CID 15148

Naftalofos

Structural Information

Molecular Formula
C16H16NO6P
SMILES
CCOP(=O)(OCC)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O
InChI
InChI=1S/C16H16NO6P/c1-3-21-24(20,22-4-2)23-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3
InChIKey
QNSIFYWAPWSAIJ-UHFFFAOYSA-N
Compound name
(1,3-dioxobenzo[de]isoquinolin-2-yl) diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

16
References

6782
Patents

349.07153 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.078806 177.6
[M+Na]+ 372.060748 185.3
[M-H]- 348.064254 179.6
[M+NH4]+ 367.105353 192.0
[M+K]+ 388.034688 183.6
[M+H-H2O]+ 332.068790 167.1
[M+HCOO]- 394.069731 199.9
[M+CH3COO]- 408.085381 214.4
[M+Na-2H]- 370.046196 181.7
[M]+ 349.07098142 185.2
[M]- 349.07207858 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe