CID 3024538

Thiazole, 4,5-dihydro-2-(4-fluorophenyl)-

Structural Information

Molecular Formula
C9H8FNS
SMILES
C1CSC(=N1)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H8FNS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4H,5-6H2
InChIKey
XPSSLMFXRUOVPF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

181.03615 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04343 133.3
[M+Na]+ 204.02537 142.9
[M-H]- 180.02887 138.1
[M+NH4]+ 199.06997 154.5
[M+K]+ 219.99931 139.4
[M+H-H2O]+ 164.03341 126.1
[M+HCOO]- 226.03435 151.5
[M+CH3COO]- 240.05000 147.2
[M+Na-2H]- 202.01082 135.8
[M]+ 181.03560 132.4
[M]- 181.03670 132.4
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