CID 1273210

Rhodanine, 5-benzylidene-

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

77
Patents

220.9969 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.00418 145.7
[M+Na]+ 243.98612 155.3
[M-H]- 219.98962 150.0
[M+NH4]+ 239.03072 164.9
[M+K]+ 259.96006 148.7
[M+H-H2O]+ 203.99416 140.3
[M+HCOO]- 265.99510 156.9
[M+CH3COO]- 280.01075 157.8
[M+Na-2H]- 241.97157 144.2
[M]+ 220.99635 143.7
[M]- 220.99745 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe