CID 721058

293737-78-7

Structural Information

Molecular Formula
C13H9ClN2O
SMILES
C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)N
InChI
InChI=1S/C13H9ClN2O/c14-9-3-6-12-11(7-9)16-13(17-12)8-1-4-10(15)5-2-8/h1-7H,15H2
InChIKey
GYSYRVJSEWBENX-UHFFFAOYSA-N
Compound name
4-(5-chloro-1,3-benzoxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

62
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