CID 4454965

4-chloro-2-(4-ethoxy-3-methoxyphenyl)quinoline-6-sulfonyl fluoride

Structural Information

Molecular Formula
C18H15ClFNO4S
SMILES
CCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)S(=O)(=O)F)C(=C2)Cl)OC
InChI
InChI=1S/C18H15ClFNO4S/c1-3-25-17-7-4-11(8-18(17)24-2)16-10-14(19)13-9-12(26(20,22)23)5-6-15(13)21-16/h4-10H,3H2,1-2H3
InChIKey
BMFXYVIGZFSTAY-UHFFFAOYSA-N
Compound name
4-chloro-2-(4-ethoxy-3-methoxyphenyl)quinoline-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

395.03943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.04671 186.0
[M+Na]+ 418.02865 197.7
[M-H]- 394.03215 191.9
[M+NH4]+ 413.07325 198.8
[M+K]+ 434.00259 191.5
[M+H-H2O]+ 378.03669 177.5
[M+HCOO]- 440.03763 196.3
[M+CH3COO]- 454.05328 217.3
[M+Na-2H]- 416.01410 189.3
[M]+ 395.03888 194.8
[M]- 395.03998 194.8
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

patents stripe