CID 3054475

8-(1,2-diiodoethylthio)quinoline diiodide

Structural Information

Molecular Formula
C11H9I2NS
SMILES
C1=CC2=C(C(=C1)SC(CI)I)N=CC=C2
InChI
InChI=1S/C11H9I2NS/c12-7-10(13)15-9-5-1-3-8-4-2-6-14-11(8)9/h1-6,10H,7H2
InChIKey
XQMJSFFIXSGXMI-UHFFFAOYSA-N
Compound name
8-(1,2-diiodoethylsulfanyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.85452 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.86180 154.7
[M+Na]+ 463.84374 148.4
[M-H]- 439.84724 145.4
[M+NH4]+ 458.88834 162.3
[M+K]+ 479.81768 156.3
[M+H-H2O]+ 423.85178 142.2
[M+HCOO]- 485.85272 160.4
[M+CH3COO]- 499.86837 157.8
[M+Na-2H]- 461.82919 142.3
[M]+ 440.85397 151.4
[M]- 440.85507 151.4
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.