CID 14071791

2-bromo-3,4-difluoro-6-nitroaniline

Structural Information

Molecular Formula
C6H3BrF2N2O2
SMILES
C1=C(C(=C(C(=C1F)F)Br)N)[N+](=O)[O-]
InChI
InChI=1S/C6H3BrF2N2O2/c7-4-5(9)2(8)1-3(6(4)10)11(12)13/h1H,10H2
InChIKey
JNHVRINUNRDTQJ-UHFFFAOYSA-N
Compound name
2-bromo-3,4-difluoro-6-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

251.9346 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94188 141.5
[M+Na]+ 274.92382 154.5
[M-H]- 250.92732 145.8
[M+NH4]+ 269.96842 161.4
[M+K]+ 290.89776 138.9
[M+H-H2O]+ 234.93186 143.5
[M+HCOO]- 296.93280 163.6
[M+CH3COO]- 310.94845 187.8
[M+Na-2H]- 272.90927 147.9
[M]+ 251.93405 155.8
[M]- 251.93515 155.8
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