CID 56773896

Methyl 5-bromo-2-(2-methoxy-2-oxoethoxy)benzoate

Structural Information

Molecular Formula
C11H11BrO5
SMILES
COC(=O)COC1=C(C=C(C=C1)Br)C(=O)OC
InChI
InChI=1S/C11H11BrO5/c1-15-10(13)6-17-9-4-3-7(12)5-8(9)11(14)16-2/h3-5H,6H2,1-2H3
InChIKey
MHPHCMBOWORGFS-UHFFFAOYSA-N
Compound name
methyl 5-bromo-2-(2-methoxy-2-oxoethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.979 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.98628 154.1
[M+Na]+ 324.96822 165.1
[M-H]- 300.97172 160.5
[M+NH4]+ 320.01282 172.9
[M+K]+ 340.94216 156.1
[M+H-H2O]+ 284.97626 153.4
[M+HCOO]- 346.97720 174.8
[M+CH3COO]- 360.99285 198.0
[M+Na-2H]- 322.95367 158.6
[M]+ 301.97845 177.9
[M]- 301.97955 177.9
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

patents stripe