CID 979416

Methyl 6-bromo-5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C18H13BrClFO4
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OCC3=C(C=CC=C3Cl)F)C(=O)OC
InChI
InChI=1S/C18H13BrClFO4/c1-9-17(18(22)23-2)10-6-16(12(19)7-15(10)25-9)24-8-11-13(20)4-3-5-14(11)21/h3-7H,8H2,1-2H3
InChIKey
GOQCDTNNMZNTIH-UHFFFAOYSA-N
Compound name
methyl 6-bromo-5-[(2-chloro-6-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.96698 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.97426 189.7
[M+Na]+ 448.95620 205.2
[M-H]- 424.95970 200.5
[M+NH4]+ 444.00080 206.9
[M+K]+ 464.93014 193.4
[M+H-H2O]+ 408.96424 188.8
[M+HCOO]- 470.96518 205.5
[M+CH3COO]- 484.98083 220.0
[M+Na-2H]- 446.94165 191.9
[M]+ 425.96643 217.4
[M]- 425.96753 217.4
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.