CID 10130284

5-amino-2-bromophenol

Structural Information

Molecular Formula
C6H6BrNO
SMILES
C1=CC(=C(C=C1N)O)Br
InChI
InChI=1S/C6H6BrNO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2
InChIKey
UTWKTHGCIITRAB-UHFFFAOYSA-N
Compound name
5-amino-2-bromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

186.96329 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 129.1
[M+Na]+ 209.95251 141.1
[M-H]- 185.95601 134.2
[M+NH4]+ 204.99711 151.4
[M+K]+ 225.92645 129.7
[M+H-H2O]+ 169.96055 129.3
[M+HCOO]- 231.96149 151.0
[M+CH3COO]- 245.97714 178.9
[M+Na-2H]- 207.93796 136.9
[M]+ 186.96274 144.9
[M]- 186.96384 144.9
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