CID 346563

1-bromo-4-nitrosobenzene

Structural Information

Molecular Formula
C6H4BrNO
SMILES
C1=CC(=CC=C1N=O)Br
InChI
InChI=1S/C6H4BrNO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChIKey
KEBOFPCXLHRSEG-UHFFFAOYSA-N
Compound name
1-bromo-4-nitrosobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

184.94763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.95491 126.8
[M+Na]+ 207.93685 131.0
[M+NH4]+ 202.98145 132.6
[M+K]+ 223.91079 130.6
[M-H]- 183.94035 128.6
[M+Na-2H]- 205.92230 132.4
[M]+ 184.94708 126.7
[M]- 184.94818 126.7
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