CID 24728632

1-bromo-3,4-difluoro-2-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

236.9237 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.93098 137.9
[M+Na]+ 259.91292 151.1
[M-H]- 235.91642 142.6
[M+NH4]+ 254.95752 158.9
[M+K]+ 275.88686 136.4
[M+H-H2O]+ 219.92096 140.8
[M+HCOO]- 281.92190 159.9
[M+CH3COO]- 295.93755 183.0
[M+Na-2H]- 257.89837 145.7
[M]+ 236.92315 153.8
[M]- 236.92425 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

No literature data available for this compound.

Patent stripe

patents stripe