CID 39346207

5,8-difluoro-4-hydroxyquinoline

Structural Information

Molecular Formula
C9H5F2NO
SMILES
C1=CC(=C2C(=C1F)C(=O)C=CN2)F
InChI
InChI=1S/C9H5F2NO/c10-5-1-2-6(11)9-8(5)7(13)3-4-12-9/h1-4H,(H,12,13)
InChIKey
YQQXQAYFERRWTG-UHFFFAOYSA-N
Compound name
5,8-difluoro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

181.03392 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04120 130.3
[M+Na]+ 204.02314 142.1
[M-H]- 180.02664 130.6
[M+NH4]+ 199.06774 150.0
[M+K]+ 219.99708 137.3
[M+H-H2O]+ 164.03118 122.7
[M+HCOO]- 226.03212 150.3
[M+CH3COO]- 240.04777 178.9
[M+Na-2H]- 202.00859 138.1
[M]+ 181.03337 127.4
[M]- 181.03447 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

No literature data available for this compound.

Patent stripe

patents stripe