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]+ 198.03835 135.9
[M+Na]+ 220.02029 147.5
[M-H]- 196.02379 137.9
[M+NH4]+ 215.06489 157.5
[M+K]+ 235.99423 143.6
[M+H-H2O]+ 180.02833 130.0
[M+HCOO]- 242.02927 152.9
[M+CH3COO]- 256.04492 149.9
[M+Na-2H]- 218.00574 139.1
[M]+ 197.03052 138.7
[M]- 197.03162 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.