CID 105540024

1702725-14-1

Structural Information

Molecular Formula
C8H4ClFN2S
SMILES
C1=C(C=NC=C1F)C2=CSC(=N2)Cl
InChI
InChI=1S/C8H4ClFN2S/c9-8-12-7(4-13-8)5-1-6(10)3-11-2-5/h1-4H
InChIKey
WOTZHYKMTOLMQU-UHFFFAOYSA-N
Compound name
2-chloro-4-(5-fluoropyridin-3-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.97678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.98406 137.2
[M+Na]+ 236.96600 149.8
[M-H]- 212.96950 141.2
[M+NH4]+ 232.01060 156.9
[M+K]+ 252.93994 144.5
[M+H-H2O]+ 196.97404 130.0
[M+HCOO]- 258.97498 151.1
[M+CH3COO]- 272.99063 151.2
[M+Na-2H]- 234.95145 139.9
[M]+ 213.97623 140.0
[M]- 213.97733 140.0
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.