CID 15810

Sulfide,dibenzoyl

Structural Information

Molecular Formula

C₁₄H₁₀O₂S

SMILES

C1=CC=C(C=C1)C(=O)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H10O2S/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H

InChIKey

KIHBJERLDDVXHD-UHFFFAOYSA-N

Compound name

S-benzoyl benzenecarbothioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 295
Patents: 242.04015 Da
Monoisotopic Mass: 3.8
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]+	243.04743	152.7
[M+Na]+	265.02937	159.8
[M-H]-	241.03287	159.5
[M+NH4]+	260.07397	170.2
[M+K]+	281.00331	155.8
[M+H-H2O]+	225.03741	145.7
[M+HCOO]-	287.03835	170.9
[M+CH3COO]-	301.05400	188.6
[M+Na-2H]-	263.01482	155.5
[M]+	242.03960	154.1
[M]-	242.04070	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe