CID 986421

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

Structural Information

Molecular Formula
C19H14Cl2O3
SMILES
C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C19H14Cl2O3/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
UFKPGDRJAZYWNR-UHFFFAOYSA-N
Compound name
7-[(2,6-dichlorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.032 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.03928 181.2
[M+Na]+ 383.02122 193.2
[M-H]- 359.02472 190.2
[M+NH4]+ 378.06582 198.2
[M+K]+ 398.99516 186.8
[M+H-H2O]+ 343.02926 175.0
[M+HCOO]- 405.03020 192.6
[M+CH3COO]- 419.04585 193.2
[M+Na-2H]- 381.00667 184.2
[M]+ 360.03145 188.6
[M]- 360.03255 188.6
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.