CID 43810838

2-chloro-7-fluoroquinoline-6-sulfonyl chloride

Structural Information

Molecular Formula
C9H4Cl2FNO2S
SMILES
C1=CC(=NC2=CC(=C(C=C21)S(=O)(=O)Cl)F)Cl
InChI
InChI=1S/C9H4Cl2FNO2S/c10-9-2-1-5-3-8(16(11,14)15)6(12)4-7(5)13-9/h1-4H
InChIKey
APJDEAYWUZDGSE-UHFFFAOYSA-N
Compound name
2-chloro-7-fluoroquinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.93237 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.93965 148.1
[M+Na]+ 301.92159 161.3
[M-H]- 277.92509 150.8
[M+NH4]+ 296.96619 166.3
[M+K]+ 317.89553 155.1
[M+H-H2O]+ 261.92963 143.2
[M+HCOO]- 323.93057 154.7
[M+CH3COO]- 337.94622 192.5
[M+Na-2H]- 299.90704 153.6
[M]+ 278.93182 153.6
[M]- 278.93292 153.6
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.