CID 77700

4081-32-7

Structural Information

Molecular Formula
C11H13ClNO3PS
SMILES
CCOP(=S)(CCl)OC1=C(C=C(C=C1)C#N)OC
InChI
InChI=1S/C11H13ClNO3PS/c1-3-15-17(18,8-12)16-10-5-4-9(7-13)6-11(10)14-2/h4-6H,3,8H2,1-2H3
InChIKey
KVPDTNOBCPYEMW-UHFFFAOYSA-N
Compound name
4-[chloromethyl(ethoxy)phosphinothioyl]oxy-3-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.00424 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01152 156.8
[M+Na]+ 327.99346 167.8
[M+NH4]+ 323.03806 160.7
[M+K]+ 343.96740 157.6
[M-H]- 303.99696 150.3
[M+Na-2H]- 325.97891 159.2
[M]+ 305.00369 156.3
[M]- 305.00479 156.3
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.