CID 2757600

4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C9H6ClFN2S
SMILES
C1=CC(=C(C=C1C2=CSC(=N2)N)Cl)F
InChI
InChI=1S/C9H6ClFN2S/c10-6-3-5(1-2-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKey
LOILNLAYTYETKO-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

227.99243 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99971 142.7
[M+Na]+ 250.98165 154.7
[M-H]- 226.98515 147.6
[M+NH4]+ 246.02625 162.8
[M+K]+ 266.95559 148.5
[M+H-H2O]+ 210.98969 136.1
[M+HCOO]- 272.99063 157.8
[M+CH3COO]- 287.00628 156.4
[M+Na-2H]- 248.96710 143.9
[M]+ 227.99188 144.1
[M]- 227.99298 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe