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

7
Patents

260.03525 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.042526 154.8
[M+Na]+ 283.024468 167.4
[M-H]- 259.027974 161.5
[M+NH4]+ 278.069073 172.1
[M+K]+ 298.998408 162.0
[M+H-H2O]+ 243.032510 148.4
[M+HCOO]- 305.033451 173.9
[M+CH3COO]- 319.049101 168.5
[M+Na-2H]- 281.009916 160.9
[M]+ 260.03470142 158.9
[M]- 260.03579858 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