CID 54888251

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

Structural Information

Molecular Formula
C11H7ClF3NO
SMILES
C1=CC=C(C(=C1)C2=NC(=CO2)CCl)C(F)(F)F
InChI
InChI=1S/C11H7ClF3NO/c12-5-7-6-17-10(16-7)8-3-1-2-4-9(8)11(13,14)15/h1-4,6H,5H2
InChIKey
BSPHSJDYNMUDNQ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0168 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.02408 149.9
[M+Na]+ 284.00602 161.1
[M-H]- 260.00952 152.5
[M+NH4]+ 279.05062 166.9
[M+K]+ 299.97996 156.7
[M+H-H2O]+ 244.01406 141.1
[M+HCOO]- 306.01500 164.6
[M+CH3COO]- 320.03065 191.5
[M+Na-2H]- 281.99147 154.8
[M]+ 261.01625 150.2
[M]- 261.01735 150.2
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

No patent data available for this compound.