CID 125515488

2089256-07-3

Structural Information

Molecular Formula
C13H9ClN2O2
SMILES
C1=CC=C2C(=C1)C=C(C=C2O)C3=NN=C(O3)CCl
InChI
InChI=1S/C13H9ClN2O2/c14-7-12-15-16-13(18-12)9-5-8-3-1-2-4-10(8)11(17)6-9/h1-6,17H,7H2
InChIKey
XHWCHXBUTNQTDS-UHFFFAOYSA-N
Compound name
3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.03525 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04253 153.8
[M+Na]+ 283.02447 166.4
[M-H]- 259.02797 159.1
[M+NH4]+ 278.06907 170.0
[M+K]+ 298.99841 161.2
[M+H-H2O]+ 243.03251 146.3
[M+HCOO]- 305.03345 171.1
[M+CH3COO]- 319.04910 167.2
[M+Na-2H]- 281.00992 161.0
[M]+ 260.03470 159.4
[M]- 260.03580 159.4
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.