CID 214704

O-(4-cyanophenyl) o,o-diethyl phosphorothioate

Structural Information

Molecular Formula
C11H14NO3PS
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H14NO3PS/c1-3-13-16(17,14-4-2)15-11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3
InChIKey
ZTWCAPLAWBCSOW-UHFFFAOYSA-N
Compound name
4-diethoxyphosphinothioyloxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0432 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.050476 156.7
[M+Na]+ 294.032418 166.2
[M-H]- 270.035924 159.6
[M+NH4]+ 289.077023 172.7
[M+K]+ 310.006358 164.0
[M+H-H2O]+ 254.040460 142.2
[M+HCOO]- 316.041401 176.6
[M+CH3COO]- 330.057051 206.7
[M+Na-2H]- 292.017866 157.8
[M]+ 271.04265142 158.4
[M]- 271.04374858 158.4
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.