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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.060836	153.9
[M+Na]+	286.042778	162.6
[M-H]-	262.046284	157.4
[M+NH4]+	281.087383	171.5
[M+K]+	302.016718	159.4
[M+H-H2O]+	246.050820	149.2
[M+HCOO]-	308.051761	161.6
[M+CH3COO]-	322.067411	164.8
[M+Na-2H]-	284.028226	157.6
[M]+	263.05301142	150.7
[M]-	263.05410858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.