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

32
Patents

243.97351 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 140.6
[M+Na]+ 266.96273 153.0
[M-H]- 242.96623 147.3
[M+NH4]+ 262.00733 162.0
[M+K]+ 282.93667 143.0
[M+H-H2O]+ 226.97077 140.7
[M+HCOO]- 288.97171 163.4
[M+CH3COO]- 302.98736 188.9
[M+Na-2H]- 264.94818 148.5
[M]+ 243.97296 163.2
[M]- 243.97406 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