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

literature stripe

Patent stripe

patents stripe