CID 165949781

2-(difluoromethyl)quinoline-3-carbaldehyde

Structural Information

Molecular Formula
C11H7F2NO
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C(F)F)C=O
InChI
InChI=1S/C11H7F2NO/c12-11(13)10-8(6-15)5-7-3-1-2-4-9(7)14-10/h1-6,11H
InChIKey
HKLARKWSDDMLMT-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)quinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04958 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05686 139.3
[M+Na]+ 230.03880 149.3
[M-H]- 206.04230 140.2
[M+NH4]+ 225.08340 158.1
[M+K]+ 246.01274 145.4
[M+H-H2O]+ 190.04684 130.7
[M+HCOO]- 252.04778 159.1
[M+CH3COO]- 266.06343 187.1
[M+Na-2H]- 228.02425 145.9
[M]+ 207.04903 137.8
[M]- 207.05013 137.8
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.