CID 2735458

1,2,3-benzothiadiazole-5-carboxylic acid

Structural Information

Molecular Formula
C7H4N2O2S
SMILES
C1=CC2=C(C=C1C(=O)O)N=NS2
InChI
InChI=1S/C7H4N2O2S/c10-7(11)4-1-2-6-5(3-4)8-9-12-6/h1-3H,(H,10,11)
InChIKey
OUIALVLMUYKKKS-UHFFFAOYSA-N
Compound name
1,2,3-benzothiadiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

179.99934 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00662 133.2
[M+Na]+ 202.98856 146.0
[M+NH4]+ 198.03316 141.5
[M+K]+ 218.96250 140.5
[M-H]- 178.99206 133.7
[M+Na-2H]- 200.97401 138.9
[M]+ 179.99879 135.5
[M]- 179.99989 135.5
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