CID 610191

4-bromo-2,6-difluoroaniline

Structural Information

Molecular Formula
C6H4BrF2N
SMILES
C1=C(C=C(C(=C1F)N)F)Br
InChI
InChI=1S/C6H4BrF2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey
BFQSQUAVMNHOEF-UHFFFAOYSA-N
Compound name
4-bromo-2,6-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1200
Patents

206.94952 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.95680 132.5
[M+Na]+ 229.93874 146.0
[M-H]- 205.94224 136.7
[M+NH4]+ 224.98334 154.9
[M+K]+ 245.91268 134.1
[M+H-H2O]+ 189.94678 131.1
[M+HCOO]- 251.94772 153.6
[M+CH3COO]- 265.96337 185.6
[M+Na-2H]- 227.92419 138.9
[M]+ 206.94897 146.9
[M]- 206.95007 146.9
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