CID 3032685

18833-50-6

Structural Information

Molecular Formula
C14H14ClNS
SMILES
C1CCC2=C(CC1)NC3=C(C2=S)C=C(C=C3)Cl
InChI
InChI=1S/C14H14ClNS/c15-9-6-7-13-11(8-9)14(17)10-4-2-1-3-5-12(10)16-13/h6-8H,1-5H2,(H,16,17)
InChIKey
URSHSEXDRVGWQT-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinoline-11-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.05356 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06084 153.1
[M+Na]+ 286.04278 166.5
[M+NH4]+ 281.08738 163.1
[M+K]+ 302.01672 157.1
[M-H]- 262.04628 156.6
[M+Na-2H]- 284.02823 159.2
[M]+ 263.05301 156.9
[M]- 263.05411 156.9
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.