CID 6481641

Benzenepentanoic acid, a-phosphono-

Structural Information

Molecular Formula
C11H15O5P
SMILES
C1=CC=C(C=C1)CCCC(C(=O)O)P(=O)(O)O
InChI
InChI=1S/C11H15O5P/c12-11(13)10(17(14,15)16)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,12,13)(H2,14,15,16)
InChIKey
ILHRXHUHPBGEAW-UHFFFAOYSA-N
Compound name
5-phenyl-2-phosphonopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.0657 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07298 159.5
[M+Na]+ 281.05492 164.1
[M-H]- 257.05842 157.4
[M+NH4]+ 276.09952 174.2
[M+K]+ 297.02886 162.0
[M+H-H2O]+ 241.06296 151.6
[M+HCOO]- 303.06390 181.8
[M+CH3COO]- 317.07955 187.3
[M+Na-2H]- 279.04037 159.8
[M]+ 258.06515 159.8
[M]- 258.06625 159.8
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

No patent data available for this compound.