CID 380897

Nsc666679

Structural Information

Molecular Formula
C15H11O3P
SMILES
C1=CC=C(C=C1)C(=O)C#CP(=O)(C2=CC=CC=C2)O
InChI
InChI=1S/C15H11O3P/c16-15(13-7-3-1-4-8-13)11-12-19(17,18)14-9-5-2-6-10-14/h1-10H,(H,17,18)
InChIKey
JRNHECCROQCCDW-UHFFFAOYSA-N
Compound name
(3-oxo-3-phenylprop-1-ynyl)-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05188 165.8
[M+Na]+ 293.03382 174.7
[M-H]- 269.03732 167.7
[M+NH4]+ 288.07842 179.4
[M+K]+ 309.00776 168.3
[M+H-H2O]+ 253.04186 150.9
[M+HCOO]- 315.04280 185.6
[M+CH3COO]- 329.05845 199.0
[M+Na-2H]- 291.01927 167.0
[M]+ 270.04405 159.8
[M]- 270.04515 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.