CID 488280

2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(2-pyridyl)ethanol

Structural Information

Molecular Formula
C14H10F2N2O2
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=CC=N3)O)(F)F
InChI
InChI=1S/C14H10F2N2O2/c15-14(16,12(19)10-6-3-4-8-17-10)13-18-9-5-1-2-7-11(9)20-13/h1-8,12,19H
InChIKey
AQFAQLNUTLUBCB-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-pyridin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.07104 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07832 157.3
[M+Na]+ 299.06026 167.0
[M-H]- 275.06376 159.7
[M+NH4]+ 294.10486 171.2
[M+K]+ 315.03420 163.2
[M+H-H2O]+ 259.06830 147.7
[M+HCOO]- 321.06924 174.2
[M+CH3COO]- 335.08489 168.9
[M+Na-2H]- 297.04571 164.6
[M]+ 276.07049 157.2
[M]- 276.07159 157.2
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

No patent data available for this compound.