CID 68285573

7,8-difluoroquinolin-3-ol

Structural Information

Molecular Formula
C9H5F2NO
SMILES
C1=CC(=C(C2=NC=C(C=C21)O)F)F
InChI
InChI=1S/C9H5F2NO/c10-7-2-1-5-3-6(13)4-12-9(5)8(7)11/h1-4,13H
InChIKey
SRRUKTJMDNQDGX-UHFFFAOYSA-N
Compound name
7,8-difluoroquinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

181.03392 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.041196 131.3
[M+Na]+ 204.023138 142.7
[M-H]- 180.026644 131.5
[M+NH4]+ 199.067743 150.9
[M+K]+ 219.997078 138.5
[M+H-H2O]+ 164.031180 123.6
[M+HCOO]- 226.032121 151.1
[M+CH3COO]- 240.047771 179.6
[M+Na-2H]- 202.008586 139.1
[M]+ 181.03337142 129.0
[M]- 181.03446858 129.0
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