CID 99770400

2,4-difluoro-5-nitrobenzyl bromide

Structural Information

Molecular Formula
C7H4BrF2NO2
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])F)F)CBr
InChI
InChI=1S/C7H4BrF2NO2/c8-3-4-1-7(11(12)13)6(10)2-5(4)9/h1-2H,3H2
InChIKey
UBBBJTQIYVTWQJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,4-difluoro-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.93935 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.946626 142.8
[M+Na]+ 273.928568 155.7
[M-H]- 249.932074 147.4
[M+NH4]+ 268.973173 163.3
[M+K]+ 289.902508 140.6
[M+H-H2O]+ 233.936610 145.5
[M+HCOO]- 295.937551 164.5
[M+CH3COO]- 309.953201 185.9
[M+Na-2H]- 271.914016 150.1
[M]+ 250.93880142 159.0
[M]- 250.93989858 159.0
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.