CID 11332921

O-(4-bromophenyl)hydroxylamine hydrochloride

Structural Information

Molecular Formula
C6H6BrNO
SMILES
C1=CC(=CC=C1ON)Br
InChI
InChI=1S/C6H6BrNO/c7-5-1-3-6(9-8)4-2-5/h1-4H,8H2
InChIKey
HJMRDUVCXLKHRV-UHFFFAOYSA-N
Compound name
O-(4-bromophenyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

186.96329 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.970566 128.4
[M+Na]+ 209.952508 140.1
[M-H]- 185.956014 134.6
[M+NH4]+ 204.997113 151.2
[M+K]+ 225.926448 129.6
[M+H-H2O]+ 169.960550 128.4
[M+HCOO]- 231.961491 151.8
[M+CH3COO]- 245.977141 180.2
[M+Na-2H]- 207.937956 137.6
[M]+ 186.96274142 145.8
[M]- 186.96383858 145.8
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