CID 135429342

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

Structural Information

Molecular Formula
C13H8BrN3O2
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C13H8BrN3O2/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
YBCDBOMXBAIEFO-UHFFFAOYSA-N
Compound name
4-bromo-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.97998 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.98726 160.4
[M+Na]+ 339.96920 173.4
[M-H]- 315.97270 169.1
[M+NH4]+ 335.01380 174.5
[M+K]+ 355.94314 162.5
[M+H-H2O]+ 299.97724 158.3
[M+HCOO]- 361.97818 179.0
[M+CH3COO]- 375.99383 174.3
[M+Na-2H]- 337.95465 167.3
[M]+ 316.97943 180.3
[M]- 316.98053 180.3
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