CID 88050280

O-bromoaminophenol

Structural Information

Molecular Formula
C6H6BrNO
SMILES
C1=CC=C(C(=C1)NBr)O
InChI
InChI=1S/C6H6BrNO/c7-8-5-3-1-2-4-6(5)9/h1-4,8-9H
InChIKey
UZPDIOVMUOICPS-UHFFFAOYSA-N
Compound name
2-(bromoamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

186.96329 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.970566 128.4
[M+Na]+ 209.952508 139.6
[M-H]- 185.956014 133.7
[M+NH4]+ 204.997113 150.7
[M+K]+ 225.926448 128.6
[M+H-H2O]+ 169.960550 128.6
[M+HCOO]- 231.961491 151.0
[M+CH3COO]- 245.977141 178.4
[M+Na-2H]- 207.937956 138.0
[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