CID 135429443

Schembl6452074

Structural Information

Molecular Formula
C14H9Cl2N3O2
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C14H9Cl2N3O2/c1-7-3-2-4-17-11(7)13-18-14(21-19-13)9-5-8(15)6-10(16)12(9)20/h2-6,20H,1H3
InChIKey
FYUGLVFHPLVUCQ-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.00717 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.01445 169.1
[M+Na]+ 343.99639 181.8
[M-H]- 319.99989 174.6
[M+NH4]+ 339.04099 180.7
[M+K]+ 359.97033 175.6
[M+H-H2O]+ 304.00443 159.9
[M+HCOO]- 366.00537 179.2
[M+CH3COO]- 380.02102 180.6
[M+Na-2H]- 341.98184 171.4
[M]+ 321.00662 174.3
[M]- 321.00772 174.3
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