CID 158403

4-isopropylthioxanthone

Structural Information

Molecular Formula

C₁₆H₁₄OS

SMILES

CC(C)C1=CC=CC2=C1SC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H14OS/c1-10(2)11-7-5-8-13-15(17)12-6-3-4-9-14(12)18-16(11)13/h3-10H,1-2H3

InChIKey

IKVYHNPVKUNCJM-UHFFFAOYSA-N

Compound name

4-propan-2-ylthioxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 14829
Patents: 254.07654 Da
Monoisotopic Mass: 4.6
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]+	255.08382	152.7
[M+Na]+	277.06576	170.0
[M+NH4]+	272.11036	163.9
[M+K]+	293.03970	158.7
[M-H]-	253.06926	158.0
[M+Na-2H]-	275.05121	161.5
[M]+	254.07599	157.6
[M]-	254.07709	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe