CID 2888423

3-[(2-chloro-6-fluorobenzyl)oxy]-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C20H12ClFO3
SMILES
C1=CC=C2C(=C1)C3=C(C=C(C=C3)OCC4=C(C=CC=C4Cl)F)OC2=O
InChI
InChI=1S/C20H12ClFO3/c21-17-6-3-7-18(22)16(17)11-24-12-8-9-14-13-4-1-2-5-15(13)20(23)25-19(14)10-12/h1-10H,11H2
InChIKey
AYMADGGSUGNYHI-UHFFFAOYSA-N
Compound name
3-[(2-chloro-6-fluorophenyl)methoxy]benzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0459 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05318 178.3
[M+Na]+ 377.03512 191.6
[M-H]- 353.03862 187.2
[M+NH4]+ 372.07972 193.2
[M+K]+ 393.00906 185.6
[M+H-H2O]+ 337.04316 169.0
[M+HCOO]- 399.04410 195.4
[M+CH3COO]- 413.05975 190.9
[M+Na-2H]- 375.02057 185.8
[M]+ 354.04535 185.7
[M]- 354.04645 185.7
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.