CID 69107

4-amino-2,6-dibromophenol

Structural Information

Molecular Formula
C6H5Br2NO
SMILES
C1=C(C=C(C(=C1Br)O)Br)N
InChI
InChI=1S/C6H5Br2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
InChIKey
HFYPXERYZGFDBD-UHFFFAOYSA-N
Compound name
4-amino-2,6-dibromophenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1003
Patents

264.87378 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.881056 133.8
[M+Na]+ 287.862998 145.1
[M-H]- 263.866504 139.5
[M+NH4]+ 282.907603 153.1
[M+K]+ 303.836938 128.8
[M+H-H2O]+ 247.871040 141.1
[M+HCOO]- 309.871981 150.0
[M+CH3COO]- 323.887631 198.4
[M+Na-2H]- 285.848446 140.4
[M]+ 264.87323142 165.5
[M]- 264.87432858 165.5
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