CID 459240

3-amino-2-bromophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

186.96329 Da
Monoisotopic Mass

1.6
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

literature stripe

Patent stripe

patents stripe