CID 778003

2-bromo-3,4,5-trimethoxybenzaldehyde

Structural Information

Molecular Formula
C10H11BrO4
SMILES
COC1=C(C(=C(C(=C1)C=O)Br)OC)OC
InChI
InChI=1S/C10H11BrO4/c1-13-7-4-6(5-12)8(11)10(15-3)9(7)14-2/h4-5H,1-3H3
InChIKey
LADPQZFHJVANIP-UHFFFAOYSA-N
Compound name
2-bromo-3,4,5-trimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

46
Patents

273.98407 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99135 145.9
[M+Na]+ 296.97329 159.3
[M-H]- 272.97679 153.1
[M+NH4]+ 292.01789 166.6
[M+K]+ 312.94723 149.7
[M+H-H2O]+ 256.98133 145.8
[M+HCOO]- 318.98227 168.5
[M+CH3COO]- 332.99792 195.9
[M+Na-2H]- 294.95874 152.1
[M]+ 273.98352 170.8
[M]- 273.98462 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe