CID 17039794

948291-04-1

Structural Information

Molecular Formula
C10H6Cl2FN
SMILES
C1=CC2=NC(=C(C=C2C=C1F)CCl)Cl
InChI
InChI=1S/C10H6Cl2FN/c11-5-7-3-6-4-8(13)1-2-9(6)14-10(7)12/h1-4H,5H2
InChIKey
FGCUGCAEAHOYBW-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloromethyl)-6-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.98613 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.99341 140.4
[M+Na]+ 251.97535 152.8
[M-H]- 227.97885 142.0
[M+NH4]+ 247.01995 160.1
[M+K]+ 267.94929 146.2
[M+H-H2O]+ 211.98339 134.4
[M+HCOO]- 273.98433 152.4
[M+CH3COO]- 287.99998 153.7
[M+Na-2H]- 249.96080 147.4
[M]+ 228.98558 143.2
[M]- 228.98668 143.2
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.