CID 98686

Rhodanine, 3-(o-tolyl)-

Structural Information

Molecular Formula
C10H9NOS2
SMILES
CC1=CC=CC=C1N2C(=O)CSC2=S
InChI
InChI=1S/C10H9NOS2/c1-7-4-2-3-5-8(7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3
InChIKey
QRUHQDWJIHNEJU-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

223.01256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01984 147.3
[M+Na]+ 246.00178 159.3
[M+NH4]+ 241.04638 156.7
[M+K]+ 261.97572 150.4
[M-H]- 222.00528 150.9
[M+Na-2H]- 243.98723 152.4
[M]+ 223.01201 150.9
[M]- 223.01311 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe