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
4
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]+ 198.038346 135.9
[M+Na]+ 220.020288 147.5
[M-H]- 196.023794 137.9
[M+NH4]+ 215.064893 157.5
[M+K]+ 235.994228 143.6
[M+H-H2O]+ 180.028330 130.0
[M+HCOO]- 242.029271 152.9
[M+CH3COO]- 256.044921 149.9
[M+Na-2H]- 218.005736 139.1
[M]+ 197.03052142 138.7
[M]- 197.03161858 138.7
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.