CID 3078600

1,2-benzisoxazole, 6-chloro-3-(1h-imidazol-1-ylmethyl)-, monohydrochloride

Structural Information

Molecular Formula
C11H8ClN3O
SMILES
C1=CC2=C(C=C1Cl)ON=C2CN3C=CN=C3
InChI
InChI=1S/C11H8ClN3O/c12-8-1-2-9-10(14-16-11(9)5-8)6-15-4-3-13-7-15/h1-5,7H,6H2
InChIKey
NKHKMJVORDMEKB-UHFFFAOYSA-N
Compound name
6-chloro-3-(imidazol-1-ylmethyl)-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

5
Patents

233.03558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04286 145.5
[M+Na]+ 256.02480 161.8
[M+NH4]+ 251.06940 154.4
[M+K]+ 271.99874 157.9
[M-H]- 232.02830 149.6
[M+Na-2H]- 254.01025 153.8
[M]+ 233.03503 149.4
[M]- 233.03613 149.4
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