CID 84979

Bromate

Structural Information

Molecular Formula
BrO3
SMILES
[O-]Br(=O)=O
InChI
InChI=1S/BrHO3/c2-1(3)4/h(H,2,3,4)/p-1
InChIKey
SXDBWCPKPHAZSM-UHFFFAOYSA-M
Compound name
bromate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

984
References

53877
Patents

126.90308 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.91036 121.8
[M+Na]+ 149.89230 133.5
[M-H]- 125.89580 121.7
[M+NH4]+ 144.93690 144.3
[M+K]+ 165.86624 122.3
[M+H-H2O]+ 109.90034 132.1
[M+HCOO]- 171.90128 142.1
[M+CH3COO]- 185.91693 156.3
[M+Na-2H]- 147.87775 129.7
[M]+ 126.90253 136.0
[M]- 126.90363 136.0
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