CID 21702252

2-amino-3-bromophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

137
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 129.6
[M+Na]+ 209.95251 132.9
[M+NH4]+ 204.99711 134.9
[M+K]+ 225.92645 133.3
[M-H]- 185.95601 130.6
[M+Na-2H]- 207.93796 133.5
[M]+ 186.96274 129.1
[M]- 186.96384 129.1
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