CID 21317700

Fluclotizolam

Structural Information

Molecular Formula

C₁₅H₁₀ClFN₄S

SMILES

CC1=NN=C2N1C3=C(C=C(S3)Cl)C(=NC2)C4=CC=CC=C4F

InChI

InChI=1S/C15H10ClFN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3

InChIKey

ZDYRCUZZLRLMHG-UHFFFAOYSA-N

Compound name

4-chloro-7-(2-fluorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 104
Patents: 332.02988 Da
Monoisotopic Mass: 2.2
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]+	333.037156	171.7
[M+Na]+	355.019098	187.1
[M-H]-	331.022604	177.5
[M+NH4]+	350.063703	187.7
[M+K]+	370.993038	183.2
[M+H-H2O]+	315.027140	162.2
[M+HCOO]-	377.028081	182.8
[M+CH3COO]-	391.043731	183.8
[M+Na-2H]-	353.004546	171.8
[M]+	332.02933142	176.1
[M]-	332.03042858	176.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.