CID 15662279

136663-54-2

Structural Information

Molecular Formula
C9H8BrNO
SMILES
CC1=NC2=C(O1)C=CC(=C2)CBr
InChI
InChI=1S/C9H8BrNO/c1-6-11-8-4-7(5-10)2-3-9(8)12-6/h2-4H,5H2,1H3
InChIKey
DMBRFAIDBVGHQM-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

224.97893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98621 140.5
[M+Na]+ 247.96815 145.8
[M+NH4]+ 243.01275 146.2
[M+K]+ 263.94209 146.5
[M-H]- 223.97165 142.5
[M+Na-2H]- 245.95360 144.2
[M]+ 224.97838 140.8
[M]- 224.97948 140.8
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