CID 10380172

5-(diphenylphosphinyl)pentanoic acid

Structural Information

Molecular Formula
C17H19O3P
SMILES
C1=CC=C(C=C1)P(=O)(CCCCC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C17H19O3P/c18-17(19)13-7-8-14-21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,18,19)
InChIKey
KIGXMYYGQYMICF-UHFFFAOYSA-N
Compound name
5-diphenylphosphorylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

207
Patents

302.10718 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11446 173.7
[M+Na]+ 325.09640 178.3
[M-H]- 301.09990 177.0
[M+NH4]+ 320.14100 187.7
[M+K]+ 341.07034 174.2
[M+H-H2O]+ 285.10444 163.6
[M+HCOO]- 347.10538 198.9
[M+CH3COO]- 361.12103 201.0
[M+Na-2H]- 323.08185 175.0
[M]+ 302.10663 174.7
[M]- 302.10773 174.7
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