CID 165960935

2-bromo-5,6-difluoro-3-nitrobenzaldehyde

Structural Information

Molecular Formula
C7H2BrF2NO3
SMILES
C1=C(C(=C(C(=C1F)F)C=O)Br)[N+](=O)[O-]
InChI
InChI=1S/C7H2BrF2NO3/c8-6-3(2-12)7(10)4(9)1-5(6)11(13)14/h1-2H
InChIKey
NLTGFGAXVUFXKZ-UHFFFAOYSA-N
Compound name
2-bromo-5,6-difluoro-3-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.9186 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.925876 143.2
[M+Na]+ 287.907818 156.9
[M-H]- 263.911324 148.0
[M+NH4]+ 282.952423 163.2
[M+K]+ 303.881758 141.8
[M+H-H2O]+ 247.915860 145.8
[M+HCOO]- 309.916801 165.1
[M+CH3COO]- 323.932451 187.9
[M+Na-2H]- 285.893266 150.0
[M]+ 264.91805142 160.3
[M]- 264.91914858 160.3
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.