CID 4914673

2,1,3-benzothiadiazol-4-ol

Structural Information

Molecular Formula
C6H4N2OS
SMILES
C1=CC2=NSN=C2C(=C1)O
InChI
InChI=1S/C6H4N2OS/c9-5-3-1-2-4-6(5)8-10-7-4/h1-3,9H
InChIKey
HYQIDLQSPAWDSE-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazol-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

152.00444 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01172 125.5
[M+Na]+ 174.99366 139.4
[M+NH4]+ 170.03826 135.0
[M+K]+ 190.96760 132.9
[M-H]- 150.99716 127.0
[M+Na-2H]- 172.97911 132.3
[M]+ 152.00389 128.4
[M]- 152.00499 128.4
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