CID 6441446

1,2,4-oxadiazole, 3-(2-phenylethenyl)-, (e)-

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)/C=C/C2=NOC=N2
InChI
InChI=1S/C10H8N2O/c1-2-4-9(5-3-1)6-7-10-11-8-13-12-10/h1-8H/b7-6+
InChIKey
PQPRLUWLXNSHBH-VOTSOKGWSA-N
Compound name
3-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

172.06366 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 133.8
[M+Na]+ 195.05288 142.7
[M-H]- 171.05638 138.5
[M+NH4]+ 190.09748 151.6
[M+K]+ 211.02682 140.6
[M+H-H2O]+ 155.06092 125.9
[M+HCOO]- 217.06186 157.3
[M+CH3COO]- 231.07751 147.7
[M+Na-2H]- 193.03833 142.1
[M]+ 172.06311 134.5
[M]- 172.06421 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe