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

1
Patents

274.01453 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.021806 157.5
[M+Na]+ 297.003748 168.0
[M-H]- 273.007254 165.3
[M+NH4]+ 292.048353 173.7
[M+K]+ 312.977688 160.0
[M+H-H2O]+ 257.011790 154.9
[M+HCOO]- 319.012731 178.2
[M+CH3COO]- 333.028381 189.9
[M+Na-2H]- 294.989196 166.5
[M]+ 274.01398142 161.7
[M]- 274.01507858 161.7
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