CID 2778945

502625-50-5

Structural Information

Molecular Formula
C16H12F3NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)CC(C3=CC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C16H12F3NO2/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/h1-8,13,21H,9H2
InChIKey
MVUVWGGFMKZEHX-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.082 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08928 169.5
[M+Na]+ 330.07122 180.6
[M+NH4]+ 325.11582 175.0
[M+K]+ 346.04516 176.5
[M-H]- 306.07472 169.1
[M+Na-2H]- 328.05667 174.5
[M]+ 307.08145 170.8
[M]- 307.08255 170.8
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.