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 153.6
[M+Na]+ 284.01168 160.5
[M-H]- 260.01518 155.8
[M+NH4]+ 279.05628 170.7
[M+K]+ 299.98562 158.9
[M+H-H2O]+ 244.01972 144.8
[M+HCOO]- 306.02066 177.4
[M+CH3COO]- 320.03631 194.4
[M+Na-2H]- 281.99713 153.8
[M]+ 261.02191 158.3
[M]- 261.02301 158.3
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.