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-fluoro-3-pyridinyl)-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]+ 214.984056 137.2
[M+Na]+ 236.965998 149.8
[M-H]- 212.969504 141.2
[M+NH4]+ 232.010603 156.9
[M+K]+ 252.939938 144.5
[M+H-H2O]+ 196.974040 130.0
[M+HCOO]- 258.974981 151.1
[M+CH3COO]- 272.990631 151.2
[M+Na-2H]- 234.951446 139.9
[M]+ 213.97623142 140.0
[M]- 213.97732858 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.