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 145.2
[M+Na]+ 246.00178 155.7
[M-H]- 222.00528 151.3
[M+NH4]+ 241.04638 165.3
[M+K]+ 261.97572 150.6
[M+H-H2O]+ 206.00982 139.7
[M+HCOO]- 268.01076 157.6
[M+CH3COO]- 282.02641 158.3
[M+Na-2H]- 243.98723 143.4
[M]+ 223.01201 146.1
[M]- 223.01311 146.1
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