CID 77113

Merpofos

Structural Information

Molecular Formula
C11H18NO2PS2
SMILES
CCOP(=S)(NC)OC1=CC(=C(C=C1)SC)C
InChI
InChI=1S/C11H18NO2PS2/c1-5-13-15(16,12-3)14-10-6-7-11(17-4)9(2)8-10/h6-8H,5H2,1-4H3,(H,12,16)
InChIKey
VVWUVTCRNUHSNB-UHFFFAOYSA-N
Compound name
N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphinothioyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.05167 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05895 159.2
[M+Na]+ 314.04089 166.1
[M-H]- 290.04439 161.4
[M+NH4]+ 309.08549 176.0
[M+K]+ 330.01483 161.7
[M+H-H2O]+ 274.04893 150.0
[M+HCOO]- 336.04987 177.7
[M+CH3COO]- 350.06552 203.3
[M+Na-2H]- 312.02634 157.9
[M]+ 291.05112 164.8
[M]- 291.05222 164.8
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

patents stripe