CID 618671

4-bromo-2,3,5,6-tetrafluoroaniline

Structural Information

Molecular Formula
C6H2BrF4N
SMILES
C1(=C(C(=C(C(=C1F)F)Br)F)F)N
InChI
InChI=1S/C6H2BrF4N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
InChIKey
LZUYSMHNMFCPBF-UHFFFAOYSA-N
Compound name
4-bromo-2,3,5,6-tetrafluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

242.93066 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.937936 139.5
[M+Na]+ 265.919878 154.7
[M-H]- 241.923384 141.7
[M+NH4]+ 260.964483 160.8
[M+K]+ 281.893818 142.0
[M+H-H2O]+ 225.927920 136.5
[M+HCOO]- 287.928861 158.4
[M+CH3COO]- 301.944511 193.2
[M+Na-2H]- 263.905326 143.1
[M]+ 242.93011142 152.1
[M]- 242.93120858 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe