CID 5009991

4-[(2-chloro-6-fluorophenyl)methylene]-1,2,3,4-tetrahydro-9-acridinecarboxylic acid

Structural Information

Molecular Formula
C21H15ClFNO2
SMILES
C1CC(=CC2=C(C=CC=C2Cl)F)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
InChI
InChI=1S/C21H15ClFNO2/c22-16-8-4-9-17(23)15(16)11-12-5-3-7-14-19(21(25)26)13-6-1-2-10-18(13)24-20(12)14/h1-2,4,6,8-11H,3,5,7H2,(H,25,26)
InChIKey
IQSZSIBCBOQZIZ-UHFFFAOYSA-N
Compound name
4-[(2-chloro-6-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.07755 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08483 183.8
[M+Na]+ 390.06677 193.1
[M-H]- 366.07027 187.9
[M+NH4]+ 385.11137 196.9
[M+K]+ 406.04071 184.3
[M+H-H2O]+ 350.07481 174.2
[M+HCOO]- 412.07575 193.5
[M+CH3COO]- 426.09140 193.0
[M+Na-2H]- 388.05222 185.9
[M]+ 367.07700 182.6
[M]- 367.07810 182.6
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.