CID 18451493

1,4-dibromo-2,5-difluoro-3-nitrobenzene

Structural Information

Molecular Formula
C6HBr2F2NO2
SMILES
C1=C(C(=C(C(=C1Br)F)[N+](=O)[O-])Br)F
InChI
InChI=1S/C6HBr2F2NO2/c7-2-1-3(9)4(8)6(5(2)10)11(12)13/h1H
InChIKey
IKHKNAWYZYPTGT-UHFFFAOYSA-N
Compound name
1,4-dibromo-2,5-difluoro-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

314.8342 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.84148 147.5
[M+Na]+ 337.82342 159.9
[M-H]- 313.82692 153.0
[M+NH4]+ 332.86802 165.8
[M+K]+ 353.79736 140.9
[M+H-H2O]+ 297.83146 156.9
[M+HCOO]- 359.83240 163.8
[M+CH3COO]- 373.84805 201.7
[M+Na-2H]- 335.80887 153.7
[M]+ 314.83365 179.8
[M]- 314.83475 179.8
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

patents stripe