CID 251523

2-(2-bromophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C18H11BrN2O
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC=CC=C4Br
InChI
InChI=1S/C18H11BrN2O/c19-16-11-4-3-9-15(16)18-21-20-17(22-18)14-10-5-7-12-6-1-2-8-13(12)14/h1-11H
InChIKey
PZJMLWROMOZPRR-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.0055 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.01278 174.0
[M+Na]+ 372.99472 187.7
[M-H]- 348.99822 185.8
[M+NH4]+ 368.03932 189.7
[M+K]+ 388.96866 176.1
[M+H-H2O]+ 333.00276 172.0
[M+HCOO]- 395.00370 194.5
[M+CH3COO]- 409.01935 188.2
[M+Na-2H]- 370.98017 181.8
[M]+ 350.00495 195.3
[M]- 350.00605 195.3
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

No patent data available for this compound.