CID 352185

38076-63-0

Structural Information

Molecular Formula

C₁₅H₁₂ClNOS

SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)Cl

InChI

InChI=1S/C15H12ClNOS/c1-10(16)15(18)17-11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)17/h2-10H,1H3

InChIKey

NFDHJLPQTVVBOU-UHFFFAOYSA-N

Compound name

2-chloro-1-phenothiazin-10-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 289.0328 Da
Monoisotopic Mass: 4.0
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]+	290.04008	160.0
[M+Na]+	312.02202	175.6
[M+NH4]+	307.06662	170.6
[M+K]+	327.99596	165.0
[M-H]-	288.02552	163.8
[M+Na-2H]-	310.00747	166.9
[M]+	289.03225	164.3
[M]-	289.03335	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe