CID 207758

Chipman rp 11807

Structural Information

Molecular Formula
C10H12NO3PS3
SMILES
COP(=S)(OC)SCN1C2=CC=CC=C2SC1=O
InChI
InChI=1S/C10H12NO3PS3/c1-13-15(16,14-2)17-7-11-8-5-3-4-6-9(8)18-10(11)12/h3-6H,7H2,1-2H3
InChIKey
DRPWJOLQCISWEU-UHFFFAOYSA-N
Compound name
3-(dimethoxyphosphinothioylsulfanylmethyl)-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.97168 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.97896 160.6
[M+Na]+ 343.96090 171.3
[M-H]- 319.96440 162.7
[M+NH4]+ 339.00550 177.9
[M+K]+ 359.93484 165.8
[M+H-H2O]+ 303.96894 152.9
[M+HCOO]- 365.96988 174.6
[M+CH3COO]- 379.98553 201.6
[M+Na-2H]- 341.94635 160.6
[M]+ 320.97113 168.0
[M]- 320.97223 168.0
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.