CID 10588461

678164-78-8

Structural Information

Molecular Formula
C12H9ClF3NO
SMILES
CC1=C(N=C(O1)C2=CC(=CC=C2)C(F)(F)F)CCl
InChI
InChI=1S/C12H9ClF3NO/c1-7-10(6-13)17-11(18-7)8-3-2-4-9(5-8)12(14,15)16/h2-5H,6H2,1H3
InChIKey
DAIJRQFQVXPBCI-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

275.03247 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03975 154.6
[M+Na]+ 298.02169 166.3
[M-H]- 274.02519 157.5
[M+NH4]+ 293.06629 171.4
[M+K]+ 313.99563 161.7
[M+H-H2O]+ 258.02973 145.9
[M+HCOO]- 320.03067 169.0
[M+CH3COO]- 334.04632 195.6
[M+Na-2H]- 296.00714 158.3
[M]+ 275.03192 155.6
[M]- 275.03302 155.6
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