CID 589926

109827-56-7

Structural Information

Molecular Formula
C8H12Cl3N4PS
SMILES
C1CN(C(=N1)C(Cl)(Cl)Cl)P(=S)(N2CC2)N3CC3
InChI
InChI=1S/C8H12Cl3N4PS/c9-8(10,11)7-12-1-2-15(7)16(17,13-3-4-13)14-5-6-14/h1-6H2
InChIKey
MJFTWFZZGOVVBT-UHFFFAOYSA-N
Compound name
bis(aziridin-1-yl)-sulfanylidene-[2-(trichloromethyl)-4,5-dihydroimidazol-1-yl]-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.9586 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.96588 170.2
[M+Na]+ 354.94782 176.6
[M-H]- 330.95132 171.3
[M+NH4]+ 349.99242 172.2
[M+K]+ 370.92176 172.1
[M+H-H2O]+ 314.95586 160.5
[M+HCOO]- 376.95680 171.5
[M+CH3COO]- 390.97245 210.4
[M+Na-2H]- 352.93327 165.6
[M]+ 331.95805 173.0
[M]- 331.95915 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.