CID 3542772

84143-78-2

Structural Information

Molecular Formula
C12H7N5O
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)N=[N+]=[N-]
InChI
InChI=1S/C12H7N5O/c13-17-16-12-15-14-11(18-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
WOCIXOXGMXOWKP-UHFFFAOYSA-N
Compound name
2-azido-5-naphthalen-1-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.06506 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07234 147.0
[M+Na]+ 260.05428 156.7
[M-H]- 236.05778 156.2
[M+NH4]+ 255.09888 163.3
[M+K]+ 276.02822 149.2
[M+H-H2O]+ 220.06232 141.8
[M+HCOO]- 282.06326 177.3
[M+CH3COO]- 296.07891 193.3
[M+Na-2H]- 258.03973 161.1
[M]+ 237.06451 147.9
[M]- 237.06561 147.9
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.