CID 23285444

214855-01-3

Structural Information

Molecular Formula
C9H6FNOS
SMILES
CC(=O)C1=NC2=C(S1)C=C(C=C2)F
InChI
InChI=1S/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3
InChIKey
GUNCTJJQHILPGA-UHFFFAOYSA-N
Compound name
1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7
Patents

195.01541 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02269 134.9
[M+Na]+ 218.00463 147.3
[M-H]- 194.00813 138.4
[M+NH4]+ 213.04923 157.2
[M+K]+ 233.97857 143.7
[M+H-H2O]+ 178.01267 128.8
[M+HCOO]- 240.01361 153.7
[M+CH3COO]- 254.02926 149.7
[M+Na-2H]- 215.99008 138.5
[M]+ 195.01486 138.8
[M]- 195.01596 138.8
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