CID 24846016

97586-77-1

Structural Information

Molecular Formula
C9H12NO4PS
SMILES
COC(=O)C1=CC=CC=C1OP(=S)(N)OC
InChI
InChI=1S/C9H12NO4PS/c1-12-9(11)7-5-3-4-6-8(7)14-15(10,16)13-2/h3-6H,1-2H3,(H2,10,16)
InChIKey
YPONVGNSHPUIOP-UHFFFAOYSA-N
Compound name
methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.02246 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02974 154.8
[M+Na]+ 284.01168 163.4
[M+NH4]+ 279.05628 160.8
[M+K]+ 299.98562 158.3
[M-H]- 260.01518 154.5
[M+Na-2H]- 281.99713 158.3
[M]+ 261.02191 156.0
[M]- 261.02301 156.0
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.