CID 79873101

782480-72-2

Structural Information

Molecular Formula
C9H8FNOS
SMILES
CC(C1=NC2=C(S1)C=C(C=C2)F)O
InChI
InChI=1S/C9H8FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-5,12H,1H3
InChIKey
KMABBBXOJRAOKB-UHFFFAOYSA-N
Compound name
1-(6-fluoro-1,3-benzothiazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

197.03107 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03835 137.8
[M+Na]+ 220.02029 150.2
[M+NH4]+ 215.06489 146.7
[M+K]+ 235.99423 143.9
[M-H]- 196.02379 138.3
[M+Na-2H]- 218.00574 143.0
[M]+ 197.03052 140.1
[M]- 197.03162 140.1
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

No patent data available for this compound.