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

156
Patents

186.96329 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.970566 129.1
[M+Na]+ 209.952508 141.1
[M-H]- 185.956014 134.2
[M+NH4]+ 204.997113 151.4
[M+K]+ 225.926448 129.7
[M+H-H2O]+ 169.960550 129.3
[M+HCOO]- 231.961491 151.0
[M+CH3COO]- 245.977141 178.9
[M+Na-2H]- 207.937956 136.9
[M]+ 186.96274142 144.9
[M]- 186.96383858 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