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]+ 241.91783 136.8
[M+Na]+ 263.89977 152.2
[M-H]- 239.90327 141.1
[M+NH4]+ 258.94437 159.1
[M+K]+ 279.87371 138.3
[M+H-H2O]+ 223.90781 136.5
[M+HCOO]- 285.90875 153.6
[M+CH3COO]- 299.92440 190.3
[M+Na-2H]- 261.88522 142.3
[M]+ 240.91000 153.4
[M]- 240.91110 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.