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

27
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 124.1
[M+Na]+ 174.99366 136.6
[M-H]- 150.99716 126.2
[M+NH4]+ 170.03826 146.0
[M+K]+ 190.96760 133.3
[M+H-H2O]+ 135.00170 118.7
[M+HCOO]- 197.00264 143.1
[M+CH3COO]- 211.01829 139.1
[M+Na-2H]- 172.97911 131.0
[M]+ 152.00389 127.6
[M]- 152.00499 127.6
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

patents stripe