CID 5278389

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

Structural Information

Molecular Formula
C14H8F2N2O2
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(=O)C3=CN=CC=C3)(F)F
InChI
InChI=1S/C14H8F2N2O2/c15-14(16,12(19)9-4-3-7-17-8-9)13-18-10-5-1-2-6-11(10)20-13/h1-8H
InChIKey
SLTBQUKZXCGICU-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0554 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06268 156.5
[M+Na]+ 297.04462 166.9
[M-H]- 273.04812 160.3
[M+NH4]+ 292.08922 171.0
[M+K]+ 313.01856 163.4
[M+H-H2O]+ 257.05266 146.6
[M+HCOO]- 319.05360 175.1
[M+CH3COO]- 333.06925 168.7
[M+Na-2H]- 295.03007 164.1
[M]+ 274.05485 157.4
[M]- 274.05595 157.4
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.