CID 70979211

1404367-63-0

Structural Information

Molecular Formula
C9H7BrClNO
SMILES
C1CC(=O)NC2=C1C(=C(C=C2)Br)Cl
InChI
InChI=1S/C9H7BrClNO/c10-6-2-3-7-5(9(6)11)1-4-8(13)12-7/h2-3H,1,4H2,(H,12,13)
InChIKey
WXTGQHCUOMLSQB-UHFFFAOYSA-N
Compound name
6-bromo-5-chloro-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

258.93994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.947216 143.8
[M+Na]+ 281.929158 157.1
[M-H]- 257.932664 148.5
[M+NH4]+ 276.973763 164.7
[M+K]+ 297.903098 143.4
[M+H-H2O]+ 241.937200 145.0
[M+HCOO]- 303.938141 156.4
[M+CH3COO]- 317.953791 158.2
[M+Na-2H]- 279.914606 151.3
[M]+ 258.93939142 160.9
[M]- 258.94048858 160.9
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