CID 2789350

7-[(2-chloro-6-fluorobenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C19H14ClFO3
SMILES
C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC4=C(C=CC=C4Cl)F
InChI
InChI=1S/C19H14ClFO3/c20-16-5-2-6-17(21)15(16)10-23-11-7-8-13-12-3-1-4-14(12)19(22)24-18(13)9-11/h2,5-9H,1,3-4,10H2
InChIKey
LQYBXVQIAAEUFZ-UHFFFAOYSA-N
Compound name
7-[(2-chloro-6-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 176.7
[M+Na]+ 367.05077 188.5
[M-H]- 343.05427 185.2
[M+NH4]+ 362.09537 193.9
[M+K]+ 383.02471 182.6
[M+H-H2O]+ 327.05881 169.1
[M+HCOO]- 389.05975 192.3
[M+CH3COO]- 403.07540 189.1
[M+Na-2H]- 365.03622 180.1
[M]+ 344.06100 181.8
[M]- 344.06210 181.8
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.