CID 46937110

Ns00071788

Structural Information

Molecular Formula
C10H15O5PS
SMILES
C1=CC=C(C(=C1)O)[S@@](=O)CCCCP(=O)(O)O
InChI
InChI=1S/C10H15O5PS/c11-9-5-1-2-6-10(9)17(15)8-4-3-7-16(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)/t17-/m0/s1
InChIKey
FFIGWLBWBXCVHW-KRWDZBQOSA-N
Compound name
4-[(S)-(2-hydroxyphenyl)sulfinyl]butylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

278.03778 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04506 159.0
[M+Na]+ 301.02700 164.7
[M-H]- 277.03050 157.2
[M+NH4]+ 296.07160 173.7
[M+K]+ 317.00094 161.2
[M+H-H2O]+ 261.03504 150.9
[M+HCOO]- 323.03598 177.6
[M+CH3COO]- 337.05163 188.5
[M+Na-2H]- 299.01245 158.1
[M]+ 278.03723 161.7
[M]- 278.03833 161.7
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

patents stripe