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]+ 259.072976 159.5
[M+Na]+ 281.054918 164.1
[M-H]- 257.058424 157.4
[M+NH4]+ 276.099523 174.2
[M+K]+ 297.028858 162.0
[M+H-H2O]+ 241.062960 151.6
[M+HCOO]- 303.063901 181.8
[M+CH3COO]- 317.079551 187.3
[M+Na-2H]- 279.040366 159.8
[M]+ 258.06515142 159.8
[M]- 258.06624858 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.