CID 89635

Brn 1476381

Structural Information

Molecular Formula
C11H12NO3PS2
SMILES
COP(=S)(C)SCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H12NO3PS2/c1-15-16(2,17)18-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
InChIKey
PDPLQAYBEGIJJF-UHFFFAOYSA-N
Compound name
2-[[methoxy(methyl)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.99963 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.00691 163.3
[M+Na]+ 323.98885 172.8
[M+NH4]+ 319.03345 170.5
[M+K]+ 339.96279 165.9
[M-H]- 299.99235 163.0
[M+Na-2H]- 321.97430 165.0
[M]+ 300.99908 165.3
[M]- 301.00018 165.3
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

patents stripe