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]+ 275.08653 161.5
[M+Na]+ 297.06847 168.4
[M-H]- 273.07197 163.9
[M+NH4]+ 292.11307 179.1
[M+K]+ 313.04241 166.1
[M+H-H2O]+ 257.07651 152.7
[M+HCOO]- 319.07745 184.6
[M+CH3COO]- 333.09310 197.8
[M+Na-2H]- 295.05392 161.5
[M]+ 274.07870 169.3
[M]- 274.07980 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.