CID 62890725

4,6-dichloro-2-(difluoromethyl)quinoline

Structural Information

Molecular Formula
C10H5Cl2F2N
SMILES
C1=CC2=C(C=C1Cl)C(=CC(=N2)C(F)F)Cl
InChI
InChI=1S/C10H5Cl2F2N/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4,10H
InChIKey
QVKHMPBUGHNCTD-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-(difluoromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.97672 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98400 141.9
[M+Na]+ 269.96594 154.0
[M-H]- 245.96944 142.2
[M+NH4]+ 265.01054 160.7
[M+K]+ 285.93988 147.4
[M+H-H2O]+ 229.97398 135.1
[M+HCOO]- 291.97492 151.9
[M+CH3COO]- 305.99057 154.5
[M+Na-2H]- 267.95139 147.2
[M]+ 246.97617 143.1
[M]- 246.97727 143.1
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.