CID 10313528

185949-49-9

Structural Information

Molecular Formula
C9H9FN2S
SMILES
CC(C1=NC2=C(S1)C=C(C=C2)F)N
InChI
InChI=1S/C9H9FN2S/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9/h2-5H,11H2,1H3
InChIKey
LMYJCUHGXCJZJF-UHFFFAOYSA-N
Compound name
1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

34
Patents

196.04704 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.054316 136.3
[M+Na]+ 219.036258 147.5
[M-H]- 195.039764 139.0
[M+NH4]+ 214.080863 158.0
[M+K]+ 235.010198 143.5
[M+H-H2O]+ 179.044300 129.8
[M+HCOO]- 241.045241 154.9
[M+CH3COO]- 255.060891 150.3
[M+Na-2H]- 217.021706 139.4
[M]+ 196.04649142 137.7
[M]- 196.04758858 137.7
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

patents stripe