CID 7131053

871497-65-3

Structural Information

Molecular Formula
C11H9ClFNOS
SMILES
C1=CC(=CC=C1OCC2=NC(=CS2)CCl)F
InChI
InChI=1S/C11H9ClFNOS/c12-5-9-7-16-11(14-9)6-15-10-3-1-8(13)2-4-10/h1-4,7H,5-6H2
InChIKey
ZPWHNYPDMVGDOC-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00775 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01503 150.5
[M+Na]+ 279.99697 161.6
[M-H]- 256.00047 155.5
[M+NH4]+ 275.04157 169.8
[M+K]+ 295.97091 156.1
[M+H-H2O]+ 240.00501 143.5
[M+HCOO]- 302.00595 165.0
[M+CH3COO]- 316.02160 163.8
[M+Na-2H]- 277.98242 151.9
[M]+ 257.00720 155.3
[M]- 257.00830 155.3
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.