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]+ 237.98621 142.8
[M+Na]+ 259.96815 156.2
[M-H]- 235.97165 152.2
[M+NH4]+ 255.01275 163.8
[M+K]+ 275.94209 146.5
[M+H-H2O]+ 219.97619 142.8
[M+HCOO]- 281.97713 165.0
[M+CH3COO]- 295.99278 159.2
[M+Na-2H]- 257.95360 150.7
[M]+ 236.97838 163.3
[M]- 236.97948 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.