CID 854918

7-[(2-chloro-6-fluorobenzyl)oxy]-3,4,8-trimethyl-2h-chromen-2-one

Structural Information

Molecular Formula
C19H16ClFO3
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC=C3Cl)F)C
InChI
InChI=1S/C19H16ClFO3/c1-10-11(2)19(22)24-18-12(3)17(8-7-13(10)18)23-9-14-15(20)5-4-6-16(14)21/h4-8H,9H2,1-3H3
InChIKey
FZPMHGWPTWNTPZ-UHFFFAOYSA-N
Compound name
7-[(2-chloro-6-fluorophenyl)methoxy]-3,4,8-trimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0772 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08448 177.4
[M+Na]+ 369.06642 190.7
[M-H]- 345.06992 185.8
[M+NH4]+ 364.11102 192.5
[M+K]+ 385.04036 185.6
[M+H-H2O]+ 329.07446 169.3
[M+HCOO]- 391.07540 193.9
[M+CH3COO]- 405.09105 214.9
[M+Na-2H]- 367.05187 180.4
[M]+ 346.07665 185.2
[M]- 346.07775 185.2
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.