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

37
Patents

181.03392 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04120 131.3
[M+Na]+ 204.02314 142.7
[M-H]- 180.02664 131.5
[M+NH4]+ 199.06774 150.9
[M+K]+ 219.99708 138.5
[M+H-H2O]+ 164.03118 123.6
[M+HCOO]- 226.03212 151.1
[M+CH3COO]- 240.04777 179.6
[M+Na-2H]- 202.00859 139.1
[M]+ 181.03337 129.0
[M]- 181.03447 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