CID 614898

2-bromo-3,4,6-trifluoroaniline

Structural Information

Molecular Formula
C6H3BrF3N
SMILES
C1=C(C(=C(C(=C1F)F)Br)N)F
InChI
InChI=1S/C6H3BrF3N/c7-4-5(10)2(8)1-3(9)6(4)11/h1H,11H2
InChIKey
MRXOTDULAFLMDA-UHFFFAOYSA-N
Compound name
2-bromo-3,4,6-trifluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

224.9401 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.947376 136.0
[M+Na]+ 247.929318 150.3
[M-H]- 223.932824 139.2
[M+NH4]+ 242.973923 157.9
[M+K]+ 263.903258 138.0
[M+H-H2O]+ 207.937360 133.8
[M+HCOO]- 269.938301 156.0
[M+CH3COO]- 283.953951 189.4
[M+Na-2H]- 245.914766 141.0
[M]+ 224.93955142 149.5
[M]- 224.94064858 149.5
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