CID 659630

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

31
Patents

244.04034 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04762 151.4
[M+Na]+ 267.02956 163.8
[M-H]- 243.03306 159.0
[M+NH4]+ 262.07416 169.8
[M+K]+ 283.00350 158.5
[M+H-H2O]+ 227.03760 144.6
[M+HCOO]- 289.03854 171.8
[M+CH3COO]- 303.05419 165.6
[M+Na-2H]- 265.01501 158.6
[M]+ 244.03979 155.5
[M]- 244.04089 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

literature stripe

Patent stripe

patents stripe