CID 21335487

5-bromo-1,3-difluoro-2-nitrobenzene

Structural Information

Molecular Formula
C6H2BrF2NO2
SMILES
C1=C(C=C(C(=C1F)[N+](=O)[O-])F)Br
InChI
InChI=1S/C6H2BrF2NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
InChIKey
ABAGKHWCTWMUDH-UHFFFAOYSA-N
Compound name
5-bromo-1,3-difluoro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

488
Patents

236.9237 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.930976 137.9
[M+Na]+ 259.912918 151.1
[M-H]- 235.916424 142.6
[M+NH4]+ 254.957523 158.9
[M+K]+ 275.886858 136.4
[M+H-H2O]+ 219.920960 140.8
[M+HCOO]- 281.921901 159.9
[M+CH3COO]- 295.937551 183.0
[M+Na-2H]- 257.898366 145.7
[M]+ 236.92315142 153.8
[M]- 236.92424858 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe