CID 473368

2h-1,2,4-benzothiadiazine

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC=C2C(=C1)N=CNS2
InChI
InChI=1S/C7H6N2S/c1-2-4-7-6(3-1)8-5-9-10-7/h1-5H,(H,8,9)
InChIKey
QRKDOAWSBBGNLE-UHFFFAOYSA-N
Compound name
2H-1,2,4-benzothiadiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

1530
Patents

150.02516 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 124.7
[M+Na]+ 173.01438 133.7
[M-H]- 149.01788 125.3
[M+NH4]+ 168.05898 144.2
[M+K]+ 188.98832 129.7
[M+H-H2O]+ 133.02242 118.5
[M+HCOO]- 195.02336 139.4
[M+CH3COO]- 209.03901 137.7
[M+Na-2H]- 170.99983 132.8
[M]+ 150.02461 122.9
[M]- 150.02571 122.9
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.