CID 2736625

4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

Structural Information

Molecular Formula
C11H7ClF3NS
SMILES
C1=CC(=CC=C1C2=NC(=CS2)CCl)C(F)(F)F
InChI
InChI=1S/C11H7ClF3NS/c12-5-9-6-17-10(16-9)7-1-3-8(4-2-7)11(13,14)15/h1-4,6H,5H2
InChIKey
QOWNNZROJKFRSK-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

276.994 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00128 152.5
[M+Na]+ 299.98322 164.1
[M-H]- 275.98672 154.9
[M+NH4]+ 295.02782 171.0
[M+K]+ 315.95716 157.7
[M+H-H2O]+ 259.99126 144.1
[M+HCOO]- 321.99220 163.0
[M+CH3COO]- 336.00785 193.3
[M+Na-2H]- 297.96867 153.4
[M]+ 276.99345 153.2
[M]- 276.99455 153.2
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