CID 82581105

2,4-dichloro-5,8-difluoroquinoline

Structural Information

Molecular Formula
C9H3Cl2F2N
SMILES
C1=CC(=C2C(=C1F)C(=CC(=N2)Cl)Cl)F
InChI
InChI=1S/C9H3Cl2F2N/c10-4-3-7(11)14-9-6(13)2-1-5(12)8(4)9/h1-3H
InChIKey
QYQAZMLZAWUIJX-UHFFFAOYSA-N
Compound name
2,4-dichloro-5,8-difluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.96106 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96834 137.6
[M+Na]+ 255.95028 151.4
[M-H]- 231.95378 138.3
[M+NH4]+ 250.99488 157.4
[M+K]+ 271.92422 144.6
[M+H-H2O]+ 215.95832 131.1
[M+HCOO]- 277.95926 148.9
[M+CH3COO]- 291.97491 151.1
[M+Na-2H]- 253.93573 143.9
[M]+ 232.96051 139.4
[M]- 232.96161 139.4
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.