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]+ 306.07366 164.9
[M+Na]+ 328.05560 175.6
[M-H]- 304.05910 168.9
[M+NH4]+ 323.10020 180.0
[M+K]+ 344.02954 171.4
[M+H-H2O]+ 288.06364 154.9
[M+HCOO]- 350.06458 183.2
[M+CH3COO]- 364.08023 202.2
[M+Na-2H]- 326.04105 170.2
[M]+ 305.06583 165.3
[M]- 305.06693 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.