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]+ 228.00446 142.6
[M+Na]+ 249.98640 154.3
[M-H]- 225.98990 147.7
[M+NH4]+ 245.03100 163.1
[M+K]+ 265.96034 148.5
[M+H-H2O]+ 209.99444 135.9
[M+HCOO]- 271.99538 157.1
[M+CH3COO]- 286.01103 156.4
[M+Na-2H]- 247.97185 144.4
[M]+ 226.99663 145.7
[M]- 226.99773 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.