CID 43144170

5-(2-bromophenyl)-2-(chloromethyl)-1,3-oxazole

Structural Information

Molecular Formula
C10H7BrClNO
SMILES
C1=CC=C(C(=C1)C2=CN=C(O2)CCl)Br
InChI
InChI=1S/C10H7BrClNO/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,6H,5H2
InChIKey
BEHSDYLLRZGQEE-UHFFFAOYSA-N
Compound name
5-(2-bromophenyl)-2-(chloromethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.93994 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.94722 149.1
[M+Na]+ 293.92916 163.3
[M-H]- 269.93266 158.1
[M+NH4]+ 288.97376 169.6
[M+K]+ 309.90310 151.7
[M+H-H2O]+ 253.93720 149.3
[M+HCOO]- 315.93814 166.7
[M+CH3COO]- 329.95379 165.0
[M+Na-2H]- 291.91461 156.5
[M]+ 270.93939 171.3
[M]- 270.94049 171.3
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.