CID 2608799

379255-48-8

Structural Information

Molecular Formula
C9H4ClF3N2OS
SMILES
C1=C(C(=C(C2=C1SC(=N2)NC(=O)CCl)F)F)F
InChI
InChI=1S/C9H4ClF3N2OS/c10-2-5(16)14-9-15-8-4(17-9)1-3(11)6(12)7(8)13/h1H,2H2,(H,14,15,16)
InChIKey
HTOINUVOJQPFRQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9685 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97578 148.3
[M+Na]+ 302.95772 161.9
[M-H]- 278.96122 149.3
[M+NH4]+ 298.00232 167.9
[M+K]+ 318.93166 155.6
[M+H-H2O]+ 262.96576 141.0
[M+HCOO]- 324.96670 161.1
[M+CH3COO]- 338.98235 197.5
[M+Na-2H]- 300.94317 149.7
[M]+ 279.96795 151.9
[M]- 279.96905 151.9
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.