CID 2736980

6,8-difluoroquinolin-4-ol

Structural Information

Molecular Formula
C9H5F2NO
SMILES
C1=CNC2=C(C1=O)C=C(C=C2F)F
InChI
InChI=1S/C9H5F2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13)
InChIKey
IFNWXFDCHWBABW-UHFFFAOYSA-N
Compound name
6,8-difluoro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

181.03392 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.041196 130.3
[M+Na]+ 204.023138 142.1
[M-H]- 180.026644 130.6
[M+NH4]+ 199.067743 150.0
[M+K]+ 219.997078 137.3
[M+H-H2O]+ 164.031180 122.7
[M+HCOO]- 226.032121 150.3
[M+CH3COO]- 240.047771 178.9
[M+Na-2H]- 202.008586 138.1
[M]+ 181.03337142 127.4
[M]- 181.03446858 127.4
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