CID 43183

(2,1,3-benzothia(s iv)diazol-4-yl)trimethylammonium iodide

Structural Information

Molecular Formula
C9H12N3S
SMILES
C[N+](C)(C)C1=CC=CC2=NSN=C21
InChI
InChI=1S/C9H12N3S/c1-12(2,3)8-6-4-5-7-9(8)11-13-10-7/h4-6H,1-3H3/q+1
InChIKey
QVMHEBKWAJNXPR-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazol-4-yl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0752 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08248 135.1
[M+Na]+ 217.06442 150.5
[M+NH4]+ 212.10902 146.1
[M+K]+ 233.03836 144.3
[M-H]- 193.06792 139.6
[M+Na-2H]- 215.04987 144.0
[M]+ 194.07465 139.6
[M]- 194.07575 139.6
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

No patent data available for this compound.