CID 1273210

5-benzylidenerhodanine

Structural Information

Molecular Formula

C₁₀H₇NOS₂

SMILES

C1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)S2

InChI

InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)/b8-6-

InChIKey

OONWCXLYKDWKOU-VURMDHGXSA-N

Compound name

(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 42
Patents: 220.9969 Da
Monoisotopic Mass: 2.8
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]+	222.00418	146.8
[M+Na]+	243.98612	158.0
[M+NH4]+	239.03072	155.6
[M+K]+	259.96006	149.1
[M-H]-	219.98962	149.5
[M+Na-2H]-	241.97157	151.5
[M]+	220.99635	149.9
[M]-	220.99745	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe