CID 3709176

2848-01-3

Structural Information

Molecular Formula
C15H15O2P
SMILES
C1=CC=C(C=C1)P(CCC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C15H15O2P/c16-15(17)11-12-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
InChIKey
OTSIFUHGOBFOTH-UHFFFAOYSA-N
Compound name
3-diphenylphosphanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

258.08096 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08824 162.0
[M+Na]+ 281.07018 166.6
[M-H]- 257.07368 165.4
[M+NH4]+ 276.11478 177.7
[M+K]+ 297.04412 163.0
[M+H-H2O]+ 241.07822 152.1
[M+HCOO]- 303.07916 188.0
[M+CH3COO]- 317.09481 194.3
[M+Na-2H]- 279.05563 162.1
[M]+ 258.08041 161.5
[M]- 258.08151 161.5
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.