CID 17906049

2-(2-bromophenyl)-4-(chloromethyl)-1,3-oxazole

Structural Information

Molecular Formula
C10H7BrClNO
SMILES
C1=CC=C(C(=C1)C2=NC(=CO2)CCl)Br
InChI
InChI=1S/C10H7BrClNO/c11-9-4-2-1-3-8(9)10-13-7(5-12)6-14-10/h1-4,6H,5H2
InChIKey
WADXIJUZBAOTPF-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-4-(chloromethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 151.9
[M+Na]+ 293.92916 157.9
[M+NH4]+ 288.97376 157.6
[M+K]+ 309.90310 157.6
[M-H]- 269.93266 155.1
[M+Na-2H]- 291.91461 156.8
[M]+ 270.93939 152.9
[M]- 270.94049 152.9
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