CID 5468243

Nsc666675

Structural Information

Molecular Formula
C16H17O3P
SMILES
CC(/C=C/C1=CC=CC=C1)(O)P(=O)(C2=CC=CC=C2)O
InChI
InChI=1S/C16H17O3P/c1-16(17,13-12-14-8-4-2-5-9-14)20(18,19)15-10-6-3-7-11-15/h2-13,17H,1H3,(H,18,19)/b13-12+
InChIKey
VVGDBQDQVJSODU-OUKQBFOZSA-N
Compound name
[(E)-2-hydroxy-4-phenylbut-3-en-2-yl]-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09152 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09880 170.2
[M+Na]+ 311.08074 175.6
[M-H]- 287.08424 172.6
[M+NH4]+ 306.12534 184.4
[M+K]+ 327.05468 170.9
[M+H-H2O]+ 271.08878 161.2
[M+HCOO]- 333.08972 193.6
[M+CH3COO]- 347.10537 194.5
[M+Na-2H]- 309.06619 173.9
[M]+ 288.09097 169.0
[M]- 288.09207 169.0
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.