CID 129959712

2-bromo-1-(difluoromethyl)-4-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

250.93935 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.946626 143.5
[M+Na]+ 273.928568 155.2
[M-H]- 249.932074 147.8
[M+NH4]+ 268.973173 163.6
[M+K]+ 289.902508 140.6
[M+H-H2O]+ 233.936610 146.1
[M+HCOO]- 295.937551 164.2
[M+CH3COO]- 309.953201 185.5
[M+Na-2H]- 271.914016 150.2
[M]+ 250.93880142 158.8
[M]- 250.93989858 158.8
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