CID 3071296

87647-71-0

Structural Information

Molecular Formula
C11H16NO4PS
SMILES
CC(C)OC(=O)C1=CC=CC=C1OP(=O)(N)SC
InChI
InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,14)18-3/h4-8H,1-3H3,(H2,12,14)
InChIKey
FWLHBSFXKAQIGQ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[amino(methylsulfanyl)phosphoryl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.05377 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06105 162.7
[M+Na]+ 312.04299 168.4
[M-H]- 288.04649 164.6
[M+NH4]+ 307.08759 178.6
[M+K]+ 328.01693 166.9
[M+H-H2O]+ 272.05103 153.7
[M+HCOO]- 334.05197 184.7
[M+CH3COO]- 348.06762 201.3
[M+Na-2H]- 310.02844 160.9
[M]+ 289.05322 167.5
[M]- 289.05432 167.5
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.