CID 82129741

5-(3-bromophenyl)-4-methyl-1,3-oxazole

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC1=C(OC=N1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H8BrNO/c1-7-10(13-6-12-7)8-3-2-4-9(11)5-8/h2-6H,1H3
InChIKey
YKNZARVPEXSUEZ-UHFFFAOYSA-N
Compound name
5-(3-bromophenyl)-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97893 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.986206 142.8
[M+Na]+ 259.968148 156.2
[M-H]- 235.971654 152.2
[M+NH4]+ 255.012753 163.8
[M+K]+ 275.942088 146.5
[M+H-H2O]+ 219.976190 142.8
[M+HCOO]- 281.977131 165.0
[M+CH3COO]- 295.992781 159.2
[M+Na-2H]- 257.953596 150.7
[M]+ 236.97838142 163.3
[M]- 236.97947858 163.3
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.