CID 352185

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

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	158.9
[M+Na]+	312.02202	167.9
[M-H]-	288.02552	162.7
[M+NH4]+	307.06662	176.7
[M+K]+	327.99596	162.1
[M+H-H2O]+	272.03006	152.9
[M+HCOO]-	334.03100	167.2
[M+CH3COO]-	348.04665	170.3
[M+Na-2H]-	310.00747	162.9
[M]+	289.03225	162.3
[M]-	289.03335	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe