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]+ 280.96193 148.3
[M+Na]+ 302.94387 161.1
[M-H]- 278.94737 152.6
[M+NH4]+ 297.98847 168.2
[M+K]+ 318.91781 150.7
[M+H-H2O]+ 262.95191 146.5
[M+HCOO]- 324.95285 167.9
[M+CH3COO]- 338.96850 195.9
[M+Na-2H]- 300.92932 152.8
[M]+ 279.95410 168.2
[M]- 279.95520 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.