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

20
Patents

227.99243 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.999706 142.7
[M+Na]+ 250.981648 154.7
[M-H]- 226.985154 147.6
[M+NH4]+ 246.026253 162.8
[M+K]+ 266.955588 148.5
[M+H-H2O]+ 210.989690 136.1
[M+HCOO]- 272.990631 157.8
[M+CH3COO]- 287.006281 156.4
[M+Na-2H]- 248.967096 143.9
[M]+ 227.99188142 144.1
[M]- 227.99297858 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