CID 217313

38527-96-7

Structural Information

Molecular Formula
C12H19O3PS
SMILES
CCCSP(=O)(OCC)OC1=CC=C(C=C1)C
InChI
InChI=1S/C12H19O3PS/c1-4-10-17-16(13,14-5-2)15-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKey
OGSIZYMAFPTPTR-UHFFFAOYSA-N
Compound name
1-[ethoxy(propylsulfanyl)phosphoryl]oxy-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.07925 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.086526 161.5
[M+Na]+ 297.068468 168.4
[M-H]- 273.071974 163.9
[M+NH4]+ 292.113073 179.1
[M+K]+ 313.042408 166.1
[M+H-H2O]+ 257.076510 152.7
[M+HCOO]- 319.077451 184.6
[M+CH3COO]- 333.093101 197.8
[M+Na-2H]- 295.053916 161.5
[M]+ 274.07870142 169.3
[M]- 274.07979858 169.3
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.