CID 14984051

92115-37-2

Structural Information

Molecular Formula
C8H7NO4S
SMILES
COC1=C2C(=CC=C1)S(=O)(=O)NC2=O
InChI
InChI=1S/C8H7NO4S/c1-13-5-3-2-4-6-7(5)8(10)9-14(6,11)12/h2-4H,1H3,(H,9,10)
InChIKey
IELNXGPPRWLPCZ-UHFFFAOYSA-N
Compound name
4-methoxy-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

110
Patents

213.00958 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.01686 142.7
[M+Na]+ 235.99880 153.8
[M+NH4]+ 231.04340 151.3
[M+K]+ 251.97274 147.0
[M-H]- 212.00230 142.2
[M+Na-2H]- 233.98425 147.2
[M]+ 213.00903 144.5
[M]- 213.01013 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe