CID 53394734

Isopropyl 5-(diphenylphosphoryl)pentanoate

Structural Information

Molecular Formula
C20H25O3P
SMILES
CC(C)OC(=O)CCCCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H25O3P/c1-17(2)23-20(21)15-9-10-16-24(22,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17H,9-10,15-16H2,1-2H3
InChIKey
NUSCAFULQNHZJJ-UHFFFAOYSA-N
Compound name
propan-2-yl 5-diphenylphosphorylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.15414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16142 187.2
[M+Na]+ 367.14336 190.7
[M-H]- 343.14686 191.5
[M+NH4]+ 362.18796 200.2
[M+K]+ 383.11730 187.4
[M+H-H2O]+ 327.15140 176.4
[M+HCOO]- 389.15234 211.9
[M+CH3COO]- 403.16799 212.6
[M+Na-2H]- 365.12881 186.2
[M]+ 344.15359 190.5
[M]- 344.15469 190.5
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.