CID 101271

53575-08-9

Structural Information

Molecular Formula
C15H19O3P
SMILES
CCOP(=O)(CC1=CC=CC2=CC=CC=C21)OCC
InChI
InChI=1S/C15H19O3P/c1-3-17-19(16,18-4-2)12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3
InChIKey
AFNZPMQIKMSUTD-UHFFFAOYSA-N
Compound name
1-(diethoxyphosphorylmethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
Patents

278.10718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11446 166.7
[M+Na]+ 301.09640 173.7
[M-H]- 277.09990 169.7
[M+NH4]+ 296.14100 184.4
[M+K]+ 317.07034 171.0
[M+H-H2O]+ 261.10444 157.6
[M+HCOO]- 323.10538 193.3
[M+CH3COO]- 337.12103 200.6
[M+Na-2H]- 299.08185 170.8
[M]+ 278.10663 172.2
[M]- 278.10773 172.2
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