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 151.9
[M+Na]+ 284.03032 159.4
[M-H]- 260.03382 153.7
[M+NH4]+ 279.07492 169.6
[M+K]+ 300.00426 154.3
[M+H-H2O]+ 244.03836 143.1
[M+HCOO]- 306.03930 169.8
[M+CH3COO]- 320.05495 197.7
[M+Na-2H]- 282.01577 149.6
[M]+ 261.04055 154.8
[M]- 261.04165 154.8
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

No patent data available for this compound.