CID 10104599

5-bromo-2-methyl-1,3-benzoxazole

Structural Information

Molecular Formula
C8H6BrNO
SMILES
CC1=NC2=C(O1)C=CC(=C2)Br
InChI
InChI=1S/C8H6BrNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey
ZBCCSPFGJDVVJB-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

210.96329 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.970566 134.2
[M+Na]+ 233.952508 149.4
[M-H]- 209.956014 141.9
[M+NH4]+ 228.997113 157.6
[M+K]+ 249.926448 140.0
[M+H-H2O]+ 193.960550 135.0
[M+HCOO]- 255.961491 156.9
[M+CH3COO]- 269.977141 151.6
[M+Na-2H]- 231.937956 144.7
[M]+ 210.96274142 156.6
[M]- 210.96383858 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe