CID 315748

2-chloro-1-(2-chloro-10h-phenothiazin-10-yl)ethan-1-one

Structural Information

Molecular Formula

C₁₄H₉Cl₂NOS

SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CCl

InChI

InChI=1S/C14H9Cl2NOS/c15-8-14(18)17-10-3-1-2-4-12(10)19-13-6-5-9(16)7-11(13)17/h1-7H,8H2

InChIKey

FXCKKLUGQMWBDD-UHFFFAOYSA-N

Compound name

2-chloro-1-(2-chlorophenothiazin-10-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 308.97818 Da
Monoisotopic Mass: 4.2
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]+	309.98546	159.8
[M+Na]+	331.96740	170.7
[M-H]-	307.97090	163.4
[M+NH4]+	327.01200	177.6
[M+K]+	347.94134	163.8
[M+H-H2O]+	291.97544	154.7
[M+HCOO]-	353.97638	164.5
[M+CH3COO]-	367.99203	171.3
[M+Na-2H]-	329.95285	164.0
[M]+	308.97763	165.0
[M]-	308.97873	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe