CID 91503427

2-fluoro-4-phenyl-1,3-thiazole

Structural Information

Molecular Formula
C9H6FNS
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)F
InChI
InChI=1S/C9H6FNS/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKey
UNYUZPYLOMBHMN-UHFFFAOYSA-N
Compound name
2-fluoro-4-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

179.0205 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02778 131.7
[M+Na]+ 202.00972 142.4
[M-H]- 178.01322 136.8
[M+NH4]+ 197.05432 153.1
[M+K]+ 217.98366 138.6
[M+H-H2O]+ 162.01776 124.5
[M+HCOO]- 224.01870 151.3
[M+CH3COO]- 238.03435 146.2
[M+Na-2H]- 199.99517 135.2
[M]+ 179.01995 132.2
[M]- 179.02105 132.2
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