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

19
Patents

210.0196 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 140.4
[M+Na]+ 233.00882 151.3
[M-H]- 209.01232 144.3
[M+NH4]+ 228.05342 157.3
[M+K]+ 248.98276 147.8
[M+H-H2O]+ 193.01686 133.4
[M+HCOO]- 255.01780 157.8
[M+CH3COO]- 269.03345 154.0
[M+Na-2H]- 230.99427 146.7
[M]+ 210.01905 143.7
[M]- 210.02015 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