CID 777996

446065-20-9

Structural Information

Molecular Formula
C9H7FN2S
SMILES
C1=CC(=CC(=C1)F)C2=CSC(=N2)N
InChI
InChI=1S/C9H7FN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKey
XBHHILITQUEDDC-UHFFFAOYSA-N
Compound name
4-(3-fluorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

38
Patents

194.0314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03868 137.4
[M+Na]+ 217.02062 149.7
[M+NH4]+ 212.06522 146.6
[M+K]+ 232.99456 142.8
[M-H]- 193.02412 140.7
[M+Na-2H]- 215.00607 145.2
[M]+ 194.03085 140.5
[M]- 194.03195 140.5
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