CID 116075

63981-07-7

Structural Information

Molecular Formula
C16H21O3P
SMILES
CCOP(OCC)OCCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H21O3P/c1-3-17-20(18-4-2)19-13-12-15-10-7-9-14-8-5-6-11-16(14)15/h5-11H,3-4,12-13H2,1-2H3
InChIKey
XRFYGDFNKHMTFY-UHFFFAOYSA-N
Compound name
diethyl 2-naphthalen-1-ylethyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.12283 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13011 171.7
[M+Na]+ 315.11205 177.2
[M-H]- 291.11555 174.1
[M+NH4]+ 310.15665 188.5
[M+K]+ 331.08599 174.9
[M+H-H2O]+ 275.12009 161.7
[M+HCOO]- 337.12103 198.3
[M+CH3COO]- 351.13668 204.8
[M+Na-2H]- 313.09750 173.0
[M]+ 292.12228 178.0
[M]- 292.12338 178.0
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.