CID 379744

8-chloro-4-methyl-2,3-dihydrothieno[3,2-c]quinoline

Structural Information

Molecular Formula
C12H10ClNS
SMILES
CC1=C2CCSC2=C3C=C(C=CC3=N1)Cl
InChI
InChI=1S/C12H10ClNS/c1-7-9-4-5-15-12(9)10-6-8(13)2-3-11(10)14-7/h2-3,6H,4-5H2,1H3
InChIKey
CQHXUEIARMMZLA-UHFFFAOYSA-N
Compound name
8-chloro-4-methyl-2,3-dihydrothieno[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

235.02225 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02953 147.7
[M+Na]+ 258.01147 159.9
[M-H]- 234.01497 152.6
[M+NH4]+ 253.05607 170.5
[M+K]+ 273.98541 153.9
[M+H-H2O]+ 218.01951 143.0
[M+HCOO]- 280.02045 159.6
[M+CH3COO]- 294.03610 161.4
[M+Na-2H]- 255.99692 151.3
[M]+ 235.02170 152.0
[M]- 235.02280 152.0
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.