CID 97450

64415-12-9

Structural Information

Molecular Formula
C18H13ClFNO4S
SMILES
CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2Cl)C3=CC=C(C=C3)S(=O)(=O)F
InChI
InChI=1S/C18H13ClFNO4S/c1-2-25-18(22)12-5-8-16-14(9-12)15(19)10-17(21-16)11-3-6-13(7-4-11)26(20,23)24/h3-10H,2H2,1H3
InChIKey
IAEGOMJZXABRBV-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-2-(4-fluorosulfonylphenyl)quinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

393.02377 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.03105 184.4
[M+Na]+ 416.01299 195.3
[M-H]- 392.01649 190.2
[M+NH4]+ 411.05759 196.9
[M+K]+ 431.98693 189.0
[M+H-H2O]+ 376.02103 176.1
[M+HCOO]- 438.02197 194.0
[M+CH3COO]- 452.03762 215.5
[M+Na-2H]- 413.99844 187.5
[M]+ 393.02322 191.6
[M]- 393.02432 191.6
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

patents stripe