CID 65451561

125292-37-7

Structural Information

Molecular Formula
C7H6ClN5S
SMILES
C1=CC2=NSN=C2C(=C1Cl)N=C(N)N
InChI
InChI=1S/C7H6ClN5S/c8-3-1-2-4-6(13-14-12-4)5(3)11-7(9)10/h1-2H,(H4,9,10,11)
InChIKey
SAPSJZRZNCXXTI-UHFFFAOYSA-N
Compound name
2-(5-chloro-2,1,3-benzothiadiazol-4-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00325 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01053 142.8
[M+Na]+ 249.99247 154.5
[M-H]- 225.99597 146.5
[M+NH4]+ 245.03707 162.4
[M+K]+ 265.96641 149.4
[M+H-H2O]+ 210.00051 136.5
[M+HCOO]- 272.00145 160.2
[M+CH3COO]- 286.01710 156.3
[M+Na-2H]- 247.97792 147.7
[M]+ 227.00270 145.5
[M]- 227.00380 145.5
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

No patent data available for this compound.