CID 2781262

1457-92-7

Structural Information

Molecular Formula
C7H6N2S
SMILES
CC1=CC=CC2=NSN=C12
InChI
InChI=1S/C7H6N2S/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3
InChIKey
IYZKISWGGPKREZ-UHFFFAOYSA-N
Compound name
4-methyl-2,1,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

365
Patents

150.02516 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 126.2
[M+Na]+ 173.01438 141.0
[M+NH4]+ 168.05898 136.5
[M+K]+ 188.98832 133.4
[M-H]- 149.01788 128.7
[M+Na-2H]- 170.99983 133.9
[M]+ 150.02461 129.6
[M]- 150.02571 129.6
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