CID 62945774

5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1h-1,2,4-triazole hydrochloride

Structural Information

Molecular Formula
C11H7FN4S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)C3=NC=NN3)F
InChI
InChI=1S/C11H7FN4S/c12-8-3-1-7(2-4-8)9-5-17-11(15-9)10-13-6-14-16-10/h1-6H,(H,13,14,16)
InChIKey
YFODZIGTKUPVPB-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.03755 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04483 147.6
[M+Na]+ 269.02677 160.7
[M-H]- 245.03027 151.9
[M+NH4]+ 264.07137 163.5
[M+K]+ 285.00071 154.7
[M+H-H2O]+ 229.03481 138.6
[M+HCOO]- 291.03575 165.1
[M+CH3COO]- 305.05140 160.6
[M+Na-2H]- 267.01222 149.0
[M]+ 246.03700 149.0
[M]- 246.03810 149.0
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

No patent data available for this compound.