CID 3346715

Phosphonic acid, 1-pyrrolidinyl-, diphenyl ester

Structural Information

Molecular Formula
C16H18NO3P
SMILES
C1CCN(C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C16H18NO3P/c18-21(17-13-7-8-14-17,19-15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKey
DSQBKNOVOLZUNZ-UHFFFAOYSA-N
Compound name
1-diphenoxyphosphorylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.10242 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10970 169.3
[M+Na]+ 326.09164 173.4
[M-H]- 302.09514 175.5
[M+NH4]+ 321.13624 183.8
[M+K]+ 342.06558 170.7
[M+H-H2O]+ 286.09968 157.7
[M+HCOO]- 348.10062 194.9
[M+CH3COO]- 362.11627 199.8
[M+Na-2H]- 324.07709 170.6
[M]+ 303.10187 168.4
[M]- 303.10297 168.4
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

patents stripe