CID 214704

Brn 2655926

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]+ 272.05048 153.7
[M+Na]+ 294.03242 163.7
[M+NH4]+ 289.07702 157.4
[M+K]+ 310.00636 154.0
[M-H]- 270.03592 147.1
[M+Na-2H]- 292.01787 156.1
[M]+ 271.04265 152.7
[M]- 271.04375 152.7
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.