CID 2782742

849021-35-8

Structural Information

Molecular Formula
C16H10F3NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)CC(=O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H10F3NO2/c17-16(18,19)11-7-5-10(6-8-11)13(21)9-15-20-12-3-1-2-4-14(12)22-15/h1-8H,9H2
InChIKey
DUHDMGAFVNCQDG-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06638 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.073656 164.9
[M+Na]+ 328.055598 175.6
[M-H]- 304.059104 168.9
[M+NH4]+ 323.100203 180.0
[M+K]+ 344.029538 171.4
[M+H-H2O]+ 288.063640 154.9
[M+HCOO]- 350.064581 183.2
[M+CH3COO]- 364.080231 202.2
[M+Na-2H]- 326.041046 170.2
[M]+ 305.06583142 165.3
[M]- 305.06692858 165.3
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.