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 157.5
[M+Na]+ 297.00375 168.0
[M-H]- 273.00725 165.3
[M+NH4]+ 292.04835 173.7
[M+K]+ 312.97769 160.0
[M+H-H2O]+ 257.01179 154.9
[M+HCOO]- 319.01273 178.2
[M+CH3COO]- 333.02838 189.9
[M+Na-2H]- 294.98920 166.5
[M]+ 274.01398 161.7
[M]- 274.01508 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