CID 13463810

54968-03-5

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1CCC2=C(C1)C=C(C(=O)N2)Br
InChI
InChI=1S/C9H10BrNO/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h5H,1-4H2,(H,11,12)
InChIKey
UTAVWZJIPPDSAU-UHFFFAOYSA-N
Compound name
3-bromo-5,6,7,8-tetrahydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

226.99458 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 139.6
[M+Na]+ 249.983798 151.0
[M-H]- 225.987304 144.1
[M+NH4]+ 245.028403 160.6
[M+K]+ 265.957738 139.2
[M+H-H2O]+ 209.991840 139.9
[M+HCOO]- 271.992781 156.6
[M+CH3COO]- 286.008431 154.0
[M+Na-2H]- 247.969246 148.0
[M]+ 226.99403142 154.5
[M]- 226.99512858 154.5
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