CID 62943087

2-chloro-4-(2-fluorophenyl)-1,3-thiazole

Structural Information

Molecular Formula
C9H5ClFNS
SMILES
C1=CC=C(C(=C1)C2=CSC(=N2)Cl)F
InChI
InChI=1S/C9H5ClFNS/c10-9-12-8(5-13-9)6-3-1-2-4-7(6)11/h1-5H
InChIKey
WQXURHFSSMANCZ-UHFFFAOYSA-N
Compound name
2-chloro-4-(2-fluorophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.98152 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98880 138.0
[M+Na]+ 235.97074 150.1
[M-H]- 211.97424 143.3
[M+NH4]+ 231.01534 159.1
[M+K]+ 251.94468 144.7
[M+H-H2O]+ 195.97878 131.6
[M+HCOO]- 257.97972 152.9
[M+CH3COO]- 271.99537 152.3
[M+Na-2H]- 233.95619 140.3
[M]+ 212.98097 140.8
[M]- 212.98207 140.8
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

No patent data available for this compound.