CID 135429355

4-fluoro-2-(3-pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-phenol

Structural Information

Molecular Formula
C13H8FN3O2
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C13H8FN3O2/c14-8-4-5-11(18)9(7-8)13-16-12(17-19-13)10-3-1-2-6-15-10/h1-7,18H
InChIKey
QMAWQLICDOCXGZ-UHFFFAOYSA-N
Compound name
4-fluoro-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.06006 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06734 153.7
[M+Na]+ 280.04928 164.5
[M-H]- 256.05278 158.6
[M+NH4]+ 275.09388 166.1
[M+K]+ 296.02322 160.3
[M+H-H2O]+ 240.05732 143.3
[M+HCOO]- 302.05826 173.4
[M+CH3COO]- 316.07391 166.0
[M+Na-2H]- 278.03473 159.1
[M]+ 257.05951 153.9
[M]- 257.06061 153.9
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

patents stripe