CID 22088437

4-(bromomethyl)benzo[d]oxazole

Structural Information

Molecular Formula
C8H6BrNO
SMILES
C1=CC(=C2C(=C1)OC=N2)CBr
InChI
InChI=1S/C8H6BrNO/c9-4-6-2-1-3-7-8(6)10-5-11-7/h1-3,5H,4H2
InChIKey
HMNKDIONYRTFOV-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

210.96329 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97057 136.3
[M+Na]+ 233.95251 141.5
[M+NH4]+ 228.99711 142.2
[M+K]+ 249.92645 142.3
[M-H]- 209.95601 138.3
[M+Na-2H]- 231.93796 140.5
[M]+ 210.96274 136.6
[M]- 210.96384 136.6
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