CID 216656

37565-85-8

Structural Information

Molecular Formula
C10H13O4PS
SMILES
COP(=S)(C(C1=CC=CC=C1)C(=O)O)OC
InChI
InChI=1S/C10H13O4PS/c1-13-15(16,14-2)9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H,11,12)
InChIKey
OYGXJBSFHHOHQS-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioyl-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.02722 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03450 155.0
[M+Na]+ 283.01644 160.9
[M-H]- 259.01994 156.1
[M+NH4]+ 278.06104 171.7
[M+K]+ 298.99038 159.1
[M+H-H2O]+ 243.02448 146.7
[M+HCOO]- 305.02542 175.6
[M+CH3COO]- 319.04107 190.8
[M+Na-2H]- 281.00189 154.3
[M]+ 260.02667 159.2
[M]- 260.02777 159.2
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.