CID 43457407

7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride

Structural Information

Molecular Formula
C9H7ClFNO3S
SMILES
C1CC(=O)NC2=CC(=C(C=C21)S(=O)(=O)Cl)F
InChI
InChI=1S/C9H7ClFNO3S/c10-16(14,15)8-3-5-1-2-9(13)12-7(5)4-6(8)11/h3-4H,1-2H2,(H,12,13)
InChIKey
JAVJJVPJXZDEIC-UHFFFAOYSA-N
Compound name
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.98193 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98921 148.0
[M+Na]+ 285.97115 158.7
[M-H]- 261.97465 149.1
[M+NH4]+ 281.01575 165.5
[M+K]+ 301.94509 152.9
[M+H-H2O]+ 245.97919 142.8
[M+HCOO]- 307.98013 155.7
[M+CH3COO]- 321.99578 187.5
[M+Na-2H]- 283.95660 152.2
[M]+ 262.98138 148.7
[M]- 262.98248 148.7
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.