CID 67984069

851513-74-1

Structural Information

Molecular Formula
C10H8F3NO
SMILES
C1COC(=N1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1-3,6H,4-5H2
InChIKey
OMLULWXGBJGVNQ-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.0558 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06308 140.2
[M+Na]+ 238.04502 149.2
[M-H]- 214.04852 142.6
[M+NH4]+ 233.08962 157.9
[M+K]+ 254.01896 147.2
[M+H-H2O]+ 198.05306 131.2
[M+HCOO]- 260.05400 158.6
[M+CH3COO]- 274.06965 183.9
[M+Na-2H]- 236.03047 146.0
[M]+ 215.05525 136.3
[M]- 215.05635 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe