CID 45599421

7,8-difluoro-2-methylquinolin-4-ol

Structural Information

Molecular Formula
C10H7F2NO
SMILES
CC1=CC(=O)C2=C(N1)C(=C(C=C2)F)F
InChI
InChI=1S/C10H7F2NO/c1-5-4-8(14)6-2-3-7(11)9(12)10(6)13-5/h2-4H,1H3,(H,13,14)
InChIKey
BSGHWWNTTVWENA-UHFFFAOYSA-N
Compound name
7,8-difluoro-2-methyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04958 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05686 135.0
[M+Na]+ 218.03880 147.2
[M-H]- 194.04230 135.5
[M+NH4]+ 213.08340 154.4
[M+K]+ 234.01274 142.2
[M+H-H2O]+ 178.04684 127.4
[M+HCOO]- 240.04778 154.6
[M+CH3COO]- 254.06343 183.1
[M+Na-2H]- 216.02425 141.5
[M]+ 195.04903 132.8
[M]- 195.05013 132.8
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

No patent data available for this compound.