CID 10752860

4-bromo-2-(methoxymethoxy)benzaldehyde

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COCOC1=C(C=CC(=C1)Br)C=O
InChI
InChI=1S/C9H9BrO3/c1-12-6-13-9-4-8(10)3-2-7(9)5-11/h2-5H,6H2,1H3
InChIKey
YFFYGBPVWBYDRM-UHFFFAOYSA-N
Compound name
4-bromo-2-(methoxymethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

243.97351 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 140.6
[M+Na]+ 266.962728 153.0
[M-H]- 242.966234 147.3
[M+NH4]+ 262.007333 162.0
[M+K]+ 282.936668 143.0
[M+H-H2O]+ 226.970770 140.7
[M+HCOO]- 288.971711 163.4
[M+CH3COO]- 302.987361 188.9
[M+Na-2H]- 264.948176 148.5
[M]+ 243.97296142 163.2
[M]- 243.97405858 163.2
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