CID 67505

1,2,3-benzothiadiazole

Structural Information

Molecular Formula
C6H4N2S
SMILES
C1=CC=C2C(=C1)N=NS2
InChI
InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4H
InChIKey
FNQJDLTXOVEEFB-UHFFFAOYSA-N
Compound name
1,2,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

396
References

78477
Patents

136.00952 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.016796 120.2
[M+Na]+ 158.998738 132.5
[M-H]- 135.002244 123.4
[M+NH4]+ 154.043343 143.3
[M+K]+ 174.972678 129.7
[M+H-H2O]+ 119.006780 114.4
[M+HCOO]- 181.007721 140.5
[M+CH3COO]- 195.023371 135.7
[M+Na-2H]- 156.984186 128.1
[M]+ 136.00897142 123.7
[M]- 136.01006858 123.7
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