CID 12403681

7-bromoquinolin-4-ol

Structural Information

Molecular Formula
C9H6BrNO
SMILES
C1=CC2=C(C=C1Br)NC=CC2=O
InChI
InChI=1S/C9H6BrNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
InChIKey
GGCBEWNXEGDQAP-UHFFFAOYSA-N
Compound name
7-bromo-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

222.96329 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97057 135.6
[M+Na]+ 245.95251 148.9
[M-H]- 221.95601 140.8
[M+NH4]+ 240.99711 157.0
[M+K]+ 261.92645 136.8
[M+H-H2O]+ 205.96055 136.0
[M+HCOO]- 267.96149 155.3
[M+CH3COO]- 281.97714 151.1
[M+Na-2H]- 243.93796 146.1
[M]+ 222.96274 153.3
[M]- 222.96384 153.3
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