CID 480274

2-butyl-4-fluoro-1,2-benzothiazol-3-one

Structural Information

Molecular Formula
C11H12FNOS
SMILES
CCCCN1C(=O)C2=C(C=CC=C2S1)F
InChI
InChI=1S/C11H12FNOS/c1-2-3-7-13-11(14)10-8(12)5-4-6-9(10)15-13/h4-6H,2-3,7H2,1H3
InChIKey
NCZBRQWLKRGRKW-UHFFFAOYSA-N
Compound name
2-butyl-4-fluoro-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06236 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06964 143.9
[M+Na]+ 248.05158 156.5
[M-H]- 224.05508 147.2
[M+NH4]+ 243.09618 165.3
[M+K]+ 264.02552 151.9
[M+H-H2O]+ 208.05962 137.5
[M+HCOO]- 270.06056 162.9
[M+CH3COO]- 284.07621 188.2
[M+Na-2H]- 246.03703 146.8
[M]+ 225.06181 149.4
[M]- 225.06291 149.4
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.