CID 177794803

2-bromo-3-chloro-4,6-difluoroaniline

Structural Information

Molecular Formula
C6H3BrClF2N
SMILES
C1=C(C(=C(C(=C1F)Cl)Br)N)F
InChI
InChI=1S/C6H3BrClF2N/c7-4-5(8)2(9)1-3(10)6(4)11/h1H,11H2
InChIKey
ROJWDKMLAWQWCW-UHFFFAOYSA-N
Compound name
2-bromo-3-chloro-4,6-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.91055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.917826 136.8
[M+Na]+ 263.899768 152.2
[M-H]- 239.903274 141.1
[M+NH4]+ 258.944373 159.1
[M+K]+ 279.873708 138.3
[M+H-H2O]+ 223.907810 136.5
[M+HCOO]- 285.908751 153.6
[M+CH3COO]- 299.924401 190.3
[M+Na-2H]- 261.885216 142.3
[M]+ 240.91000142 153.4
[M]- 240.91109858 153.4
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.