CID 198151

Bay hol 0574

Structural Information

Molecular Formula
C10H16NOPS2
SMILES
CCP(=S)(N)OC1=CC(=C(C=C1)SC)C
InChI
InChI=1S/C10H16NOPS2/c1-4-13(11,14)12-9-5-6-10(15-3)8(2)7-9/h5-7H,4H2,1-3H3,(H2,11,14)
InChIKey
LIIJBBWJAXDFKA-UHFFFAOYSA-N
Compound name
4-[amino(ethyl)phosphinothioyl]oxy-2-methyl-1-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0411 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04838 154.2
[M+Na]+ 284.03032 164.1
[M+NH4]+ 279.07492 162.5
[M+K]+ 300.00426 155.0
[M-H]- 260.03382 156.2
[M+Na-2H]- 282.01577 158.3
[M]+ 261.04055 157.1
[M]- 261.04165 157.1
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.