CID 13732746

3-bromo-2,4-difluoroaniline

Structural Information

Molecular Formula
C6H4BrF2N
SMILES
C1=CC(=C(C(=C1N)F)Br)F
InChI
InChI=1S/C6H4BrF2N/c7-5-3(8)1-2-4(10)6(5)9/h1-2H,10H2
InChIKey
NUDDKKLQNVWKRU-UHFFFAOYSA-N
Compound name
3-bromo-2,4-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

376
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

No literature data available for this compound.

Patent stripe

patents stripe