CID 721085

8-chloro-7-[(4-fluorobenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C19H14ClFO3
SMILES
C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC4=CC=C(C=C4)F
InChI
InChI=1S/C19H14ClFO3/c20-16-8-15-13-2-1-3-14(13)19(22)24-17(15)9-18(16)23-10-11-4-6-12(21)7-5-11/h4-9H,1-3,10H2
InChIKey
MPXQPQYBCGGDSL-UHFFFAOYSA-N
Compound name
8-chloro-7-[(4-fluorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.06155 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06883 175.8
[M+Na]+ 367.05077 192.3
[M+NH4]+ 362.09537 185.1
[M+K]+ 383.02471 184.6
[M-H]- 343.05427 181.3
[M+Na-2H]- 365.03622 182.2
[M]+ 344.06100 180.2
[M]- 344.06210 180.2
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.