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 142.4
[M+Na]+ 235.99880 152.3
[M+NH4]+ 231.04340 150.6
[M+K]+ 251.97274 146.5
[M-H]- 212.00230 141.2
[M+Na-2H]- 233.98425 146.3
[M]+ 213.00903 143.7
[M]- 213.01013 143.7
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