CID 90338

24017-20-7

Structural Information

Molecular Formula
C12H14NO3PS2
SMILES
CCP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H14NO3PS2/c1-3-17(18,16-2)19-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,3,8H2,1-2H3
InChIKey
YBKYDCKBUSWFIS-UHFFFAOYSA-N
Compound name
2-[[ethyl(methoxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.01526 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.02254 167.4
[M+Na]+ 338.00448 176.7
[M+NH4]+ 333.04908 174.4
[M+K]+ 353.97842 169.5
[M-H]- 314.00798 167.0
[M+Na-2H]- 335.98993 168.8
[M]+ 315.01471 169.3
[M]- 315.01581 169.3
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