CID 43531965

4-chloro-5,8-difluoroquinoline

Structural Information

Molecular Formula
C9H4ClF2N
SMILES
C1=CC(=C2C(=C1F)C(=CC=N2)Cl)F
InChI
InChI=1S/C9H4ClF2N/c10-5-3-4-13-9-7(12)2-1-6(11)8(5)9/h1-4H
InChIKey
DZFRUXKPHJQFHH-UHFFFAOYSA-N
Compound name
4-chloro-5,8-difluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

199.00003 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.00731 132.6
[M+Na]+ 221.98925 145.2
[M-H]- 197.99275 133.8
[M+NH4]+ 217.03385 153.1
[M+K]+ 237.96319 139.6
[M+H-H2O]+ 181.99729 125.3
[M+HCOO]- 243.99823 149.0
[M+CH3COO]- 258.01388 146.6
[M+Na-2H]- 219.97470 140.4
[M]+ 198.99948 132.8
[M]- 199.00058 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe