CID 69845

2,1,3-benzothiadiazol-4-amine

Structural Information

Molecular Formula
C6H5N3S
SMILES
C1=CC2=NSN=C2C(=C1)N
InChI
InChI=1S/C6H5N3S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2
InChIKey
DRLGIZIAMHIQHL-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

583
Patents

151.02042 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.02770 124.0
[M+Na]+ 174.00964 136.2
[M-H]- 150.01314 126.8
[M+NH4]+ 169.05424 146.1
[M+K]+ 189.98358 132.7
[M+H-H2O]+ 134.01768 118.0
[M+HCOO]- 196.01862 144.6
[M+CH3COO]- 210.03427 139.0
[M+Na-2H]- 171.99509 130.9
[M]+ 151.01987 126.1
[M]- 151.02097 126.1
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