CID 135409760

2,4-dichloro-6-[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]phenol

Structural Information

Molecular Formula
C13H7Cl2N3O2
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C13H7Cl2N3O2/c14-7-5-8(11(19)9(15)6-7)13-17-12(18-20-13)10-3-1-2-4-16-10/h1-6,19H
InChIKey
LYNFZHKAGAJCIX-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.99155 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.99883 164.0
[M+Na]+ 329.98077 176.2
[M-H]- 305.98427 169.2
[M+NH4]+ 325.02537 175.8
[M+K]+ 345.95471 170.2
[M+H-H2O]+ 289.98881 154.7
[M+HCOO]- 351.98975 174.4
[M+CH3COO]- 366.00540 175.6
[M+Na-2H]- 327.96622 167.6
[M]+ 306.99100 168.5
[M]- 306.99210 168.5
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