CID 721115

4-amino-2-(5-chloro-1,3-benzoxazol-2-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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

No literature data available for this compound.

Patent stripe

patents stripe