CID 52177672

3-bromo-2-(difluoromethoxy)benzaldehyde

Structural Information

Molecular Formula
C8H5BrF2O2
SMILES
C1=CC(=C(C(=C1)Br)OC(F)F)C=O
InChI
InChI=1S/C8H5BrF2O2/c9-6-3-1-2-5(4-12)7(6)13-8(10)11/h1-4,8H
InChIKey
LTLYVMTXHYPCGC-UHFFFAOYSA-N
Compound name
3-bromo-2-(difluoromethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9441 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.951376 141.8
[M+Na]+ 272.933318 154.4
[M-H]- 248.936824 146.0
[M+NH4]+ 267.977923 162.7
[M+K]+ 288.907258 143.7
[M+H-H2O]+ 232.941360 140.4
[M+HCOO]- 294.942301 161.7
[M+CH3COO]- 308.957951 190.1
[M+Na-2H]- 270.918766 147.5
[M]+ 249.94355142 159.8
[M]- 249.94464858 159.8
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.