CID 14503614

1-(2-amino-4-bromophenyl)ethanone

Structural Information

Molecular Formula
C8H8BrNO
SMILES
CC(=O)C1=C(C=C(C=C1)Br)N
InChI
InChI=1S/C8H8BrNO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,10H2,1H3
InChIKey
RCGAXUAOILUCAA-UHFFFAOYSA-N
Compound name
1-(2-amino-4-bromophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

212.97893 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 135.6
[M+Na]+ 235.96815 138.7
[M+NH4]+ 231.01275 140.5
[M+K]+ 251.94209 139.1
[M-H]- 211.97165 136.6
[M+Na-2H]- 233.95360 139.2
[M]+ 212.97838 135.0
[M]- 212.97948 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe