CID 53420896

660417-36-7

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
C1=CC(=CC(=C1)Cl)C2=NC(=NO2)CO
InChI
InChI=1S/C9H7ClN2O2/c10-7-3-1-2-6(4-7)9-11-8(5-13)12-14-9/h1-4,13H,5H2
InChIKey
FTUJTACQXOHQHE-UHFFFAOYSA-N
Compound name
[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

210.0196 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.026876 140.4
[M+Na]+ 233.008818 151.3
[M-H]- 209.012324 144.3
[M+NH4]+ 228.053423 157.3
[M+K]+ 248.982758 147.8
[M+H-H2O]+ 193.016860 133.4
[M+HCOO]- 255.017801 157.8
[M+CH3COO]- 269.033451 154.0
[M+Na-2H]- 230.994266 146.7
[M]+ 210.01905142 143.7
[M]- 210.02014858 143.7
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