CID 5297382

51323-01-4

Structural Information

Molecular Formula
C6H4ClN3S
SMILES
C1=C(C2=NSN=C2C(=C1)Cl)N
InChI
InChI=1S/C6H4ClN3S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H,8H2
InChIKey
NQOQXUUAJLXBGH-UHFFFAOYSA-N
Compound name
4-chloro-2,1,3-benzothiadiazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

184.98145 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.988726 131.0
[M+Na]+ 207.970668 144.6
[M-H]- 183.974174 134.0
[M+NH4]+ 203.015273 152.8
[M+K]+ 223.944608 139.5
[M+H-H2O]+ 167.978710 125.8
[M+HCOO]- 229.979651 146.8
[M+CH3COO]- 243.995301 145.8
[M+Na-2H]- 205.956116 136.6
[M]+ 184.98090142 135.3
[M]- 184.98199858 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe