CID 135429448

Schembl6454618

Structural Information

Molecular Formula
C13H10N2O3
SMILES
CC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=COC=C3
InChI
InChI=1S/C13H10N2O3/c1-8-2-3-11(16)10(6-8)13-14-12(15-18-13)9-4-5-17-7-9/h2-7,16H,1H3
InChIKey
IDFXFOAUEWZYPO-UHFFFAOYSA-N
Compound name
2-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.06914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07642 148.7
[M+Na]+ 265.05836 160.3
[M-H]- 241.06186 157.8
[M+NH4]+ 260.10296 164.0
[M+K]+ 281.03230 158.8
[M+H-H2O]+ 225.06640 141.7
[M+HCOO]- 287.06734 172.4
[M+CH3COO]- 301.08299 163.2
[M+Na-2H]- 263.04381 153.7
[M]+ 242.06859 153.9
[M]- 242.06969 153.9
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.