CID 667919

22105-55-1

Structural Information

Molecular Formula
C13H9ClN2O2
SMILES
C1=CC(=C(C=C1N)O)C2=NC3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C13H9ClN2O2/c14-7-1-4-12-10(5-7)16-13(18-12)9-3-2-8(15)6-11(9)17/h1-6,17H,15H2
InChIKey
PLKDBJVOCNTMRL-UHFFFAOYSA-N
Compound name
5-amino-2-(5-chloro-1,3-benzoxazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

260.03525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04253 154.8
[M+Na]+ 283.02447 167.4
[M-H]- 259.02797 161.5
[M+NH4]+ 278.06907 172.1
[M+K]+ 298.99841 162.0
[M+H-H2O]+ 243.03251 148.4
[M+HCOO]- 305.03345 173.9
[M+CH3COO]- 319.04910 168.5
[M+Na-2H]- 281.00992 160.9
[M]+ 260.03470 158.9
[M]- 260.03580 158.9
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