CID 104468832

4-tert-butyl-2-(2-fluorophenyl)-1,3-thiazole hydrochloride

Structural Information

Molecular Formula
C13H14FNS
SMILES
CC(C)(C)C1=CSC(=N1)C2=CC=CC=C2F
InChI
InChI=1S/C13H14FNS/c1-13(2,3)11-8-16-12(15-11)9-6-4-5-7-10(9)14/h4-8H,1-3H3
InChIKey
CPLOMUZXANKYOS-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-(2-fluorophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.0831 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09038 150.9
[M+Na]+ 258.07232 161.1
[M-H]- 234.07582 156.1
[M+NH4]+ 253.11692 170.6
[M+K]+ 274.04626 156.8
[M+H-H2O]+ 218.08036 143.8
[M+HCOO]- 280.08130 167.7
[M+CH3COO]- 294.09695 190.0
[M+Na-2H]- 256.05777 152.5
[M]+ 235.08255 152.7
[M]- 235.08365 152.7
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