CID 135429444

Schembl6452187

Structural Information

Molecular Formula
C14H9BrClN3O2
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C(=CC(=C3)Cl)Br)O
InChI
InChI=1S/C14H9BrClN3O2/c1-7-3-2-4-17-11(7)13-18-14(21-19-13)9-5-8(16)6-10(15)12(9)20/h2-6,20H,1H3
InChIKey
WQJYUAKOEOGVDB-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-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

364.95667 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.96395 170.6
[M+Na]+ 387.94589 185.7
[M-H]- 363.94939 179.5
[M+NH4]+ 382.99049 184.3
[M+K]+ 403.91983 173.0
[M+H-H2O]+ 347.95393 168.6
[M+HCOO]- 409.95487 184.2
[M+CH3COO]- 423.97052 184.3
[M+Na-2H]- 385.93134 175.1
[M]+ 364.95612 193.3
[M]- 364.95722 193.3
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