CID 43446294

7-chloro-4-[(2-chloroethyl)sulfanyl]quinoline

Structural Information

Molecular Formula
C11H9Cl2NS
SMILES
C1=CC2=C(C=CN=C2C=C1Cl)SCCCl
InChI
InChI=1S/C11H9Cl2NS/c12-4-6-15-11-3-5-14-10-7-8(13)1-2-9(10)11/h1-3,5,7H,4,6H2
InChIKey
NGBRUSRFQUPJDB-UHFFFAOYSA-N
Compound name
7-chloro-4-(2-chloroethylsulfanyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.98328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99056 151.7
[M+Na]+ 279.97250 168.6
[M+NH4]+ 275.01710 162.7
[M+K]+ 295.94644 156.4
[M-H]- 255.97600 155.6
[M+Na-2H]- 277.95795 159.7
[M]+ 256.98273 156.6
[M]- 256.98383 156.6
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.