CID 721061

2-(3-chlorophenyl)-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C13H9ClN2O
SMILES
C1=CC(=CC(=C1)Cl)C2=NC3=C(O2)C=CC(=C3)N
InChI
InChI=1S/C13H9ClN2O/c14-9-3-1-2-8(6-9)13-16-11-7-10(15)4-5-12(11)17-13/h1-7H,15H2
InChIKey
XJHAVALWFPKQEE-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

244.04034 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.047616 151.4
[M+Na]+ 267.029558 163.8
[M-H]- 243.033064 159.0
[M+NH4]+ 262.074163 169.8
[M+K]+ 283.003498 158.5
[M+H-H2O]+ 227.037600 144.6
[M+HCOO]- 289.038541 171.8
[M+CH3COO]- 303.054191 165.6
[M+Na-2H]- 265.015006 158.6
[M]+ 244.03979142 155.5
[M]- 244.04088858 155.5
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