CID 2063926

2-bromo-4-formyl-6-methoxyphenyl acetate

Structural Information

Molecular Formula
C10H9BrO4
SMILES
CC(=O)OC1=C(C=C(C=C1Br)C=O)OC
InChI
InChI=1S/C10H9BrO4/c1-6(13)15-10-8(11)3-7(5-12)4-9(10)14-2/h3-5H,1-2H3
InChIKey
SXSITNPVULYEFB-UHFFFAOYSA-N
Compound name
(2-bromo-4-formyl-6-methoxyphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

271.9684 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.97568 145.6
[M+Na]+ 294.95762 158.3
[M-H]- 270.96112 152.5
[M+NH4]+ 290.00222 166.0
[M+K]+ 310.93156 148.5
[M+H-H2O]+ 254.96566 145.5
[M+HCOO]- 316.96660 167.4
[M+CH3COO]- 330.98225 194.2
[M+Na-2H]- 292.94307 151.2
[M]+ 271.96785 168.8
[M]- 271.96895 168.8
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