CID 208374

Benzoxazole, 2-(4-chloro-3-nitrophenyl)-

Structural Information

Molecular Formula
C13H7ClN2O3
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C13H7ClN2O3/c14-9-6-5-8(7-11(9)16(17)18)13-15-10-3-1-2-4-12(10)19-13/h1-7H
InChIKey
VIWOIEIZTTXVGY-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-nitrophenyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.01453 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02181 153.9
[M+Na]+ 297.00375 172.0
[M+NH4]+ 292.04835 163.3
[M+K]+ 312.97769 168.3
[M-H]- 273.00725 161.1
[M+Na-2H]- 294.98920 163.0
[M]+ 274.01398 159.0
[M]- 274.01508 159.0
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

No patent data available for this compound.