CID 82095339

7-bromo-5-methyl-1,3-benzoxazole

Structural Information

Molecular Formula
C8H6BrNO
SMILES
CC1=CC2=C(C(=C1)Br)OC=N2
InChI
InChI=1S/C8H6BrNO/c1-5-2-6(9)8-7(3-5)10-4-11-8/h2-4H,1H3
InChIKey
CQQVMDNBZICMQJ-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.96329 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97057 135.8
[M+Na]+ 233.95251 141.4
[M+NH4]+ 228.99711 141.7
[M+K]+ 249.92645 142.3
[M-H]- 209.95601 137.9
[M+Na-2H]- 231.93796 139.8
[M]+ 210.96274 136.2
[M]- 210.96384 136.2
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