CID 129916154

3-(difluoromethyl)quinolin-6-ol

Structural Information

Molecular Formula
C10H7F2NO
SMILES
C1=CC2=NC=C(C=C2C=C1O)C(F)F
InChI
InChI=1S/C10H7F2NO/c11-10(12)7-3-6-4-8(14)1-2-9(6)13-5-7/h1-5,10,14H
InChIKey
WJASQXVNVVPKEL-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)quinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04958 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05686 136.2
[M+Na]+ 218.03880 146.0
[M-H]- 194.04230 136.0
[M+NH4]+ 213.08340 154.9
[M+K]+ 234.01274 142.0
[M+H-H2O]+ 178.04684 128.2
[M+HCOO]- 240.04778 154.7
[M+CH3COO]- 254.06343 182.4
[M+Na-2H]- 216.02425 143.0
[M]+ 195.04903 133.3
[M]- 195.05013 133.3
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.