CID 45480242

1244948-84-2

Structural Information

Molecular Formula
C8H7NO4S
SMILES
C1C2=C(C=C(C=C2)C(=O)O)NS1(=O)=O
InChI
InChI=1S/C8H7NO4S/c10-8(11)5-1-2-6-4-14(12,13)9-7(6)3-5/h1-3,9H,4H2,(H,10,11)
InChIKey
WOYVITVQQNYCEQ-UHFFFAOYSA-N
Compound name
2,2-dioxo-1,3-dihydro-2,1-benzothiazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

213.00958 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.01686 140.0
[M+Na]+ 235.99880 150.4
[M-H]- 212.00230 141.4
[M+NH4]+ 231.04340 161.5
[M+K]+ 251.97274 146.8
[M+H-H2O]+ 196.00684 136.1
[M+HCOO]- 258.00778 155.0
[M+CH3COO]- 272.02343 176.1
[M+Na-2H]- 233.98425 143.9
[M]+ 213.00903 141.3
[M]- 213.01013 141.3
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