CID 448552

(2z)-2-phenyl-3-(phosphonooxy)prop-2-enoic acid

Structural Information

Molecular Formula
C9H9O6P
SMILES
C1=CC=C(C=C1)/C(=C/OP(=O)(O)O)/C(=O)O
InChI
InChI=1S/C9H9O6P/c10-9(11)8(6-15-16(12,13)14)7-4-2-1-3-5-7/h1-6H,(H,10,11)(H2,12,13,14)/b8-6-
InChIKey
BFEFHIYTKUTNCG-VURMDHGXSA-N
Compound name
(Z)-2-phenyl-3-phosphonooxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.01367 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02095 150.8
[M+Na]+ 267.00289 156.5
[M-H]- 243.00639 149.1
[M+NH4]+ 262.04749 166.0
[M+K]+ 282.97683 154.9
[M+H-H2O]+ 227.01093 143.1
[M+HCOO]- 289.01187 174.2
[M+CH3COO]- 303.02752 182.0
[M+Na-2H]- 264.98834 152.5
[M]+ 244.01312 151.0
[M]- 244.01422 151.0
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.