CID 690255

1887-60-1

Structural Information

Molecular Formula
C8H8N2S
SMILES
CC1=CC2=NSN=C2C=C1C
InChI
InChI=1S/C8H8N2S/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3
InChIKey
QQCMLCGOLBUDJF-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2,1,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

164.04082 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04810 129.3
[M+Na]+ 187.03004 142.4
[M-H]- 163.03354 132.9
[M+NH4]+ 182.07464 151.9
[M+K]+ 203.00398 139.1
[M+H-H2O]+ 147.03808 123.6
[M+HCOO]- 209.03902 148.9
[M+CH3COO]- 223.05467 144.6
[M+Na-2H]- 185.01549 134.8
[M]+ 164.04027 134.3
[M]- 164.04137 134.3
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