CID 43405381

3-bromo-4-(difluoromethoxy)-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C9H7BrF2O3
SMILES
COC1=C(C(=CC(=C1)C=O)Br)OC(F)F
InChI
InChI=1S/C9H7BrF2O3/c1-14-7-3-5(4-13)2-6(10)8(7)15-9(11)12/h2-4,9H,1H3
InChIKey
DBLMNXFWBPADLZ-UHFFFAOYSA-N
Compound name
3-bromo-4-(difluoromethoxy)-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.95465 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.961926 148.3
[M+Na]+ 302.943868 161.1
[M-H]- 278.947374 152.6
[M+NH4]+ 297.988473 168.2
[M+K]+ 318.917808 150.7
[M+H-H2O]+ 262.951910 146.5
[M+HCOO]- 324.952851 167.9
[M+CH3COO]- 338.968501 195.9
[M+Na-2H]- 300.929316 152.8
[M]+ 279.95410142 168.2
[M]- 279.95519858 168.2
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

No patent data available for this compound.