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

46
Patents

224.9401 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.94738 136.0
[M+Na]+ 247.92932 150.3
[M-H]- 223.93282 139.2
[M+NH4]+ 242.97392 157.9
[M+K]+ 263.90326 138.0
[M+H-H2O]+ 207.93736 133.8
[M+HCOO]- 269.93830 156.0
[M+CH3COO]- 283.95395 189.4
[M+Na-2H]- 245.91477 141.0
[M]+ 224.93955 149.5
[M]- 224.94065 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