CID 167716093

2-bromo-3-(difluoromethoxy)-6-nitrobenzaldehyde

Structural Information

Molecular Formula
C8H4BrF2NO4
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])C=O)Br)OC(F)F
InChI
InChI=1S/C8H4BrF2NO4/c9-7-4(3-13)5(12(14)15)1-2-6(7)16-8(10)11/h1-3,8H
InChIKey
WALPCPXUSVJMAL-UHFFFAOYSA-N
Compound name
2-bromo-3-(difluoromethoxy)-6-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.92917 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.93645 151.3
[M+Na]+ 317.91839 163.3
[M-H]- 293.92189 155.6
[M+NH4]+ 312.96299 169.7
[M+K]+ 333.89233 148.8
[M+H-H2O]+ 277.92643 153.3
[M+HCOO]- 339.92737 172.1
[M+CH3COO]- 353.94302 192.2
[M+Na-2H]- 315.90384 157.2
[M]+ 294.92862 169.0
[M]- 294.92972 169.0
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.