CID 2781245

5-methoxy-2,1,3-benzothiadiazole

Structural Information

Molecular Formula
C7H6N2OS
SMILES
COC1=CC2=NSN=C2C=C1
InChI
InChI=1S/C7H6N2OS/c1-10-5-2-3-6-7(4-5)9-11-8-6/h2-4H,1H3
InChIKey
XAPHRZKQDIJZDU-UHFFFAOYSA-N
Compound name
5-methoxy-2,1,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

70
Patents

166.02008 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 129.8
[M+Na]+ 189.00930 144.1
[M+NH4]+ 184.05390 139.6
[M+K]+ 204.98324 137.0
[M-H]- 165.01280 131.8
[M+Na-2H]- 186.99475 137.0
[M]+ 166.01953 133.0
[M]- 166.02063 133.0
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