CID 95840

2-allyl-1,1-dioxo-1,2-benzothiazol-3-one; carbon monoxide; cobaltiocobalt

Structural Information

Molecular Formula
C10H9NO3S
SMILES
C=CCN1C(=O)C2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C10H9NO3S/c1-2-7-11-10(12)8-5-3-4-6-9(8)15(11,13)14/h2-6H,1,7H2
InChIKey
PCEMJUSXPJQKDP-UHFFFAOYSA-N
Compound name
1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

223.03032 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03760 142.7
[M+Na]+ 246.01954 154.8
[M-H]- 222.02304 147.0
[M+NH4]+ 241.06414 165.6
[M+K]+ 261.99348 150.8
[M+H-H2O]+ 206.02758 138.1
[M+HCOO]- 268.02852 161.1
[M+CH3COO]- 282.04417 184.4
[M+Na-2H]- 244.00499 146.6
[M]+ 223.02977 147.2
[M]- 223.03087 147.2
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

No patent data available for this compound.