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

31
Patents

186.96329 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.97057 128.4
[M+Na]+ 209.95251 140.1
[M-H]- 185.95601 134.6
[M+NH4]+ 204.99711 151.2
[M+K]+ 225.92645 129.6
[M+H-H2O]+ 169.96055 128.4
[M+HCOO]- 231.96149 151.8
[M+CH3COO]- 245.97714 180.2
[M+Na-2H]- 207.93796 137.6
[M]+ 186.96274 145.8
[M]- 186.96384 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