CID 119031268

(6-bromo-1,3-benzoxazol-2-yl)methanol

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1=CC2=C(C=C1Br)OC(=N2)CO
InChI
InChI=1S/C8H6BrNO2/c9-5-1-2-6-7(3-5)12-8(4-11)10-6/h1-3,11H,4H2
InChIKey
VLOCHTRDDAURDT-UHFFFAOYSA-N
Compound name
(6-bromo-1,3-benzoxazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.95819 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.965466 137.9
[M+Na]+ 249.947408 152.4
[M-H]- 225.950914 144.2
[M+NH4]+ 244.992013 159.8
[M+K]+ 265.921348 142.5
[M+H-H2O]+ 209.955450 138.6
[M+HCOO]- 271.956391 159.2
[M+CH3COO]- 285.972041 154.3
[M+Na-2H]- 247.932856 147.8
[M]+ 226.95764142 159.8
[M]- 226.95873858 159.8
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

No patent data available for this compound.