CID 46183078

5-bromo-2-nitrosopyridine

Structural Information

Molecular Formula
C5H3BrN2O
SMILES
C1=CC(=NC=C1Br)N=O
InChI
InChI=1S/C5H3BrN2O/c6-4-1-2-5(8-9)7-3-4/h1-3H
InChIKey
PAOSIVGYYHDTNW-UHFFFAOYSA-N
Compound name
5-bromo-2-nitrosopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

185.94289 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.95017 123.2
[M+Na]+ 208.93211 136.1
[M-H]- 184.93561 130.0
[M+NH4]+ 203.97671 145.7
[M+K]+ 224.90605 126.5
[M+H-H2O]+ 168.94015 122.6
[M+HCOO]- 230.94109 148.1
[M+CH3COO]- 244.95674 182.2
[M+Na-2H]- 206.91756 134.8
[M]+ 185.94234 143.0
[M]- 185.94344 143.0
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