CID 2778943

502625-49-2

Structural Information

Molecular Formula
C16H12F3NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)CC(C3=CC(=CC=C3)C(F)(F)F)O
InChI
InChI=1S/C16H12F3NO2/c17-16(18,19)11-5-3-4-10(8-11)13(21)9-15-20-12-6-1-2-7-14(12)22-15/h1-8,13,21H,9H2
InChIKey
NHOGTCDKLUELSC-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-1-[3-(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 165.8
[M+Na]+ 330.07122 175.7
[M-H]- 306.07472 168.3
[M+NH4]+ 325.11582 180.1
[M+K]+ 346.04516 171.3
[M+H-H2O]+ 290.07926 156.1
[M+HCOO]- 352.08020 182.4
[M+CH3COO]- 366.09585 200.5
[M+Na-2H]- 328.05667 170.7
[M]+ 307.08145 165.1
[M]- 307.08255 165.1
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.