CID 5897541

380574-64-1

Structural Information

Molecular Formula
C20H13ClFNO2
SMILES
C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=C(C=CC=C4Cl)F)C(=O)O
InChI
InChI=1S/C20H13ClFNO2/c21-15-5-3-6-16(22)14(15)10-11-8-9-13-18(20(24)25)12-4-1-2-7-17(12)23-19(11)13/h1-7,10H,8-9H2,(H,24,25)/b11-10+
InChIKey
GCWVEUXRHJDYRU-ZHACJKMWSA-N
Compound name
(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0619 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.06918 180.9
[M+Na]+ 376.05112 191.6
[M-H]- 352.05462 185.9
[M+NH4]+ 371.09572 196.7
[M+K]+ 392.02506 182.9
[M+H-H2O]+ 336.05916 172.6
[M+HCOO]- 398.06010 193.3
[M+CH3COO]- 412.07575 191.4
[M+Na-2H]- 374.03657 181.5
[M]+ 353.06135 181.6
[M]- 353.06245 181.6
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.