CID 15045383

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

Structural Information

Molecular Formula
C10H7ClFNS
SMILES
C1=CC=C(C(=C1)C2=NC(=CS2)CCl)F
InChI
InChI=1S/C10H7ClFNS/c11-5-7-6-14-10(13-7)8-3-1-2-4-9(8)12/h1-4,6H,5H2
InChIKey
WJTKLJHGGGNKNE-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(2-fluorophenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99718 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.004456 142.6
[M+Na]+ 249.986398 154.3
[M-H]- 225.989904 147.7
[M+NH4]+ 245.031003 163.1
[M+K]+ 265.960338 148.5
[M+H-H2O]+ 209.994440 135.9
[M+HCOO]- 271.995381 157.1
[M+CH3COO]- 286.011031 156.4
[M+Na-2H]- 247.971846 144.4
[M]+ 226.99663142 145.7
[M]- 226.99772858 145.7
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

No patent data available for this compound.