CID 209622

20064-41-9

Structural Information

Molecular Formula
C10H10N2O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=NC(=NS2)C
InChI
InChI=1S/C10H10N2O2S2/c1-7-3-5-9(6-4-7)16(13,14)10-11-8(2)12-15-10/h3-6H,1-2H3
InChIKey
WROYVBXJJPBMQQ-UHFFFAOYSA-N
Compound name
3-methyl-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.01837 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02565 155.4
[M+Na]+ 277.00759 167.9
[M+NH4]+ 272.05219 163.3
[M+K]+ 292.98153 160.2
[M-H]- 253.01109 157.5
[M+Na-2H]- 274.99304 161.4
[M]+ 254.01782 158.8
[M]- 254.01892 158.8
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

No patent data available for this compound.