CID 116439

Diethyl 1-naphthylmethyl phosphate

Structural Information

Molecular Formula
C15H19O4P
SMILES
CCOP(=O)(OCC)OCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H19O4P/c1-3-17-20(16,18-4-2)19-12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3
InChIKey
DSUPAEWIYDJKQU-UHFFFAOYSA-N
Compound name
diethyl naphthalen-1-ylmethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10208 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10936 169.4
[M+Na]+ 317.09130 176.2
[M-H]- 293.09480 172.3
[M+NH4]+ 312.13590 186.3
[M+K]+ 333.06524 174.2
[M+H-H2O]+ 277.09934 160.0
[M+HCOO]- 339.10028 196.2
[M+CH3COO]- 353.11593 202.7
[M+Na-2H]- 315.07675 173.7
[M]+ 294.10153 176.2
[M]- 294.10263 176.2
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

No patent data available for this compound.