CID 731894

4-(4-fluorophenyl)-2-methylthiazole

Structural Information

Molecular Formula
C10H8FNS
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H8FNS/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
InChIKey
BVTLCUSPIGZVKE-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

193.03615 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04343 135.9
[M+Na]+ 216.02537 147.0
[M-H]- 192.02887 141.3
[M+NH4]+ 211.06997 157.1
[M+K]+ 231.99931 143.0
[M+H-H2O]+ 176.03341 128.8
[M+HCOO]- 238.03435 155.2
[M+CH3COO]- 252.05000 150.3
[M+Na-2H]- 214.01082 138.3
[M]+ 193.03560 137.2
[M]- 193.03670 137.2
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