CID 444721

4-(2-hydroxyphenylthio)-1-butenylphosphonic acid

Structural Information

Molecular Formula
C10H13O4PS
SMILES
C1=CC=C(C(=C1)O)SCC/C=C/P(=O)(O)O
InChI
InChI=1S/C10H13O4PS/c11-9-5-1-2-6-10(9)16-8-4-3-7-15(12,13)14/h1-3,5-7,11H,4,8H2,(H2,12,13,14)/b7-3+
InChIKey
GHNIEXOPSISMGX-XVNBXDOJSA-N
Compound name
[(E)-4-(2-hydroxyphenyl)sulfanylbut-1-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

260.02722 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03450 156.2
[M+Na]+ 283.01644 162.7
[M-H]- 259.01994 154.5
[M+NH4]+ 278.06104 171.9
[M+K]+ 298.99038 158.0
[M+H-H2O]+ 243.02448 148.4
[M+HCOO]- 305.02542 175.8
[M+CH3COO]- 319.04107 184.8
[M+Na-2H]- 281.00189 156.1
[M]+ 260.02667 158.1
[M]- 260.02777 158.1
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

patents stripe