CID 18413350

2-fluoro-1,3-thiazole

Structural Information

Molecular Formula
C3H2FNS
SMILES
C1=CSC(=N1)F
InChI
InChI=1S/C3H2FNS/c4-3-5-1-2-6-3/h1-2H
InChIKey
KQTIMOAWZBAJLH-UHFFFAOYSA-N
Compound name
2-fluoro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

439
Patents

102.9892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.99648 111.4
[M+Na]+ 125.97842 122.1
[M-H]- 101.98192 113.4
[M+NH4]+ 121.02302 135.8
[M+K]+ 141.95236 120.9
[M+H-H2O]+ 85.986460 105.5
[M+HCOO]- 147.98740 131.2
[M+CH3COO]- 162.00305 162.8
[M+Na-2H]- 123.96387 116.2
[M]+ 102.98865 111.7
[M]- 102.98975 111.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe