CID 14320605

2-amino-5-bromophenol

Structural Information

Molecular Formula
C6H6BrNO
SMILES
C1=CC(=C(C=C1Br)O)N
InChI
InChI=1S/C6H6BrNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
InChIKey
DRQWUAAWZFIVTF-UHFFFAOYSA-N
Compound name
2-amino-5-bromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

730
Patents

186.96329 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe