CID 716719

4-(4-fluorophenyl)-1,3-thiazole-2-thiol

Structural Information

Molecular Formula
C9H6FNS2
SMILES
C1=CC(=CC=C1C2=CSC(=S)N2)F
InChI
InChI=1S/C9H6FNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKey
MWMWTZPSWBGHNI-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

210.99257 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.99985 137.0
[M+Na]+ 233.98179 148.8
[M-H]- 209.98529 140.9
[M+NH4]+ 229.02639 157.0
[M+K]+ 249.95573 142.1
[M+H-H2O]+ 193.98983 130.9
[M+HCOO]- 255.99077 149.8
[M+CH3COO]- 270.00642 150.3
[M+Na-2H]- 231.96724 137.2
[M]+ 210.99202 136.5
[M]- 210.99312 136.5
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