CID 45121780

496791-62-9

Structural Information

Molecular Formula
C3HClFNS
SMILES
C1=C(N=C(S1)F)Cl
InChI
InChI=1S/C3HClFNS/c4-2-1-7-3(5)6-2/h1H
InChIKey
RFTBSLJGUKLVJF-UHFFFAOYSA-N
Compound name
4-chloro-2-fluoro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

136.95023 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.95751 117.1
[M+Na]+ 159.93945 129.1
[M-H]- 135.94295 119.2
[M+NH4]+ 154.98405 141.1
[M+K]+ 175.91339 126.0
[M+H-H2O]+ 119.94749 112.0
[M+HCOO]- 181.94843 132.1
[M+CH3COO]- 195.96408 167.8
[M+Na-2H]- 157.92490 120.6
[M]+ 136.94968 119.2
[M]- 136.95078 119.2
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