CID 2757199

54109-14-7

Structural Information

Molecular Formula
C11H13BrO4
SMILES
COC1=C(C(=C(C=C1)C(=O)CBr)OC)OC
InChI
InChI=1S/C11H13BrO4/c1-14-9-5-4-7(8(13)6-12)10(15-2)11(9)16-3/h4-5H,6H2,1-3H3
InChIKey
WUDJYUXZDGECRF-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,3,4-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

287.99973 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.00701 152.0
[M+Na]+ 310.98895 163.9
[M-H]- 286.99245 158.6
[M+NH4]+ 306.03355 171.8
[M+K]+ 326.96289 154.4
[M+H-H2O]+ 270.99699 151.5
[M+HCOO]- 332.99793 173.2
[M+CH3COO]- 347.01358 198.4
[M+Na-2H]- 308.97440 157.0
[M]+ 287.99918 176.3
[M]- 288.00028 176.3
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