CID 24846015

97586-78-2

Structural Information

Molecular Formula
C10H14NO4PS
SMILES
CCOP(=S)(N)OC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C10H14NO4PS/c1-3-14-16(11,17)15-9-7-5-4-6-8(9)10(12)13-2/h4-7H,3H2,1-2H3,(H2,11,17)
InChIKey
WKNGQSZPKRQEPS-UHFFFAOYSA-N
Compound name
methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.03812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04540 158.2
[M+Na]+ 298.02734 164.7
[M-H]- 274.03084 160.3
[M+NH4]+ 293.07194 174.8
[M+K]+ 314.00128 162.9
[M+H-H2O]+ 258.03538 149.2
[M+HCOO]- 320.03632 181.6
[M+CH3COO]- 334.05197 197.4
[M+Na-2H]- 296.01279 157.9
[M]+ 275.03757 163.3
[M]- 275.03867 163.3
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.