CID 3696637

380437-34-3

Structural Information

Molecular Formula
C21H16FNO2
SMILES
C1CC(=CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O
InChI
InChI=1S/C21H16FNO2/c22-15-10-8-13(9-11-15)12-14-4-3-6-17-19(21(24)25)16-5-1-2-7-18(16)23-20(14)17/h1-2,5,7-12H,3-4,6H2,(H,24,25)
InChIKey
DFJBOLNIHJRSHP-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11652 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12380 177.7
[M+Na]+ 356.10574 185.2
[M-H]- 332.10924 181.7
[M+NH4]+ 351.15034 191.0
[M+K]+ 372.07968 177.8
[M+H-H2O]+ 316.11378 167.3
[M+HCOO]- 378.11472 191.9
[M+CH3COO]- 392.13037 186.9
[M+Na-2H]- 354.09119 181.0
[M]+ 333.11597 173.5
[M]- 333.11707 173.5
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.